ZINC 12

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-3.91	-2.29	-61.8	3	7	-1	121	142.098	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-3.91	-2.63	-100.31	2	7	-2	119	141.09	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-3.91	-2.29	-37.63	4	7	0	122	143.106	2	↓ MOL2 SDF SMILES Flexibase

13719791

Analogs

3995585

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Popular Name: GLYCINE GLYCINE

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Vendors

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	98	0.98	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-3.91	-2.29	-61.82	3	7	-1	121	142.098	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-3.91	-2.6	-100.5	2	7	-2	119	141.09	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-3.91	-2.29	-37.88	4	7	0	122	143.106	2	↓ MOL2 SDF SMILES Flexibase

28525293

Analogs

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Vendors

Element Store BB
- b2star-32302-76-4

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	1	0.60	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-4.39	1.13	-133.82	4	9	-1	157	300.291	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-4.39	0.75	-131.45	3	9	-2	156	299.283	7	↓ MOL2 SDF SMILES Flexibase

6761070

Analogs

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Vendors

ChemMol
- 97601834

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	510	0.63	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	960	0.60	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-3.50	-3.25	-81.19	3	7	-1	129	201.158	4	↓ MOL2 SDF SMILES Flexibase

22028288

Analogs

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Popular Name: (RS)-CPP (RS)-CPP

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And 3 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
A2AIR5-1-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #1 Of 2), Eukaryotic	Eukaryotes	72	0.62	Binding ≤ 10μM
NMD3A-2-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic	Eukaryotes	600	0.54	Binding ≤ 10μM
NMD3B-2-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic	Eukaryotes	72	0.62	Binding ≤ 10μM
NMDE1-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	600	0.54	Binding ≤ 10μM
NMDE2-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic	Eukaryotes	600	0.54	Binding ≤ 10μM
NMDE3-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	600	0.54	Binding ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	131	0.60	Binding ≤ 10μM
NMDZ1-4-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic	Eukaryotes	600	0.54	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	837	0.53	Binding ≤ 10μM
Z104302-1-O	Glutamate NMDA Receptor (cluster #1 Of 3), Other	Other	80	0.62	Functional ≤ 10μM
Z50597-2-O	Rattus Norvegicus (cluster #2 Of 12), Other	Other	800	0.53	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-3.22	-0.53	-63.96	3	7	-1	120	251.199	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-3.22	1.55	-134.72	2	7	-2	120	250.191	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-3.22	0.59	-145.65	2	7	-2	123	250.191	5	↓ MOL2 SDF SMILES Flexibase

22033348

Analogs

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Popular Name: (R)-cpp (R)-cpp

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And 4 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
A2AIR5-1-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #1 Of 2), Eukaryotic	Eukaryotes	72	0.62	Binding ≤ 10μM
NMD3A-2-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic	Eukaryotes	86	0.62	Binding ≤ 10μM
NMD3A-2-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic	Eukaryotes	600	0.54	Binding ≤ 10μM
NMD3B-2-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic	Eukaryotes	72	0.62	Binding ≤ 10μM
NMD3B-2-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic	Eukaryotes	86	0.62	Binding ≤ 10μM
NMDE1-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	86	0.62	Binding ≤ 10μM
NMDE1-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	600	0.54	Binding ≤ 10μM
NMDE2-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic	Eukaryotes	86	0.62	Binding ≤ 10μM
NMDE2-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic	Eukaryotes	600	0.54	Binding ≤ 10μM
NMDE3-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	86	0.62	Binding ≤ 10μM
NMDE3-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	600	0.54	Binding ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	131	0.60	Binding ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	3160	0.48	Binding ≤ 10μM
NMDZ1-4-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic	Eukaryotes	86	0.62	Binding ≤ 10μM
NMDZ1-4-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic	Eukaryotes	600	0.54	Binding ≤ 10μM
GRIA1-3-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #3 Of 3), Eukaryotic	Eukaryotes	1600	0.51	Functional ≤ 10μM
GRIA2-3-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #3 Of 4), Eukaryotic	Eukaryotes	1600	0.51	Functional ≤ 10μM
GRIA3-2-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #2 Of 2), Eukaryotic	Eukaryotes	1600	0.51	Functional ≤ 10μM
GRIA4-2-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #2 Of 3), Eukaryotic	Eukaryotes	1600	0.51	Functional ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	50	0.64	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	837	0.53	Binding ≤ 10μM
Z104302-1-O	Glutamate NMDA Receptor (cluster #1 Of 3), Other	Other	80	0.62	Functional ≤ 10μM
Z50597-2-O	Rattus Norvegicus (cluster #2 Of 12), Other	Other	800	0.53	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-3.22	-0.58	-64.39	3	7	-1	120	251.199	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-3.22	1.56	-134.79	2	7	-2	120	250.191	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-3.22	0.54	-145.88	2	7	-2	123	250.191	5	↓ MOL2 SDF SMILES Flexibase

895536

Analogs

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And 79 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	40	1.48	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.59	0.82	-41.87	3	3	0	68	101.105	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	8.90	15.29	-5.16	0	2	0	18	526.505	10	↓ MOL2 SDF SMILES Flexibase

895032

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: L-Aspartic acid L-Aspartic acid

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And 137 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	1638	0.90	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-3.52	1	-52.73	3	5	-1	108	132.095	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-3.52	-1.01	-32.41	4	5	0	105	133.103	3	↓ MOL2 SDF SMILES Flexibase

19632753

Analogs

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And 5 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
A2AIR5-1-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #1 Of 2), Eukaryotic	Eukaryotes	320	0.65	Binding ≤ 10μM
NMD3B-2-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic	Eukaryotes	320	0.65	Binding ≤ 10μM
NMDE1-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	730	0.61	Binding ≤ 10μM
NMDE2-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic	Eukaryotes	320	0.65	Binding ≤ 10μM
NMDE3-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	320	0.65	Binding ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	730	0.61	Binding ≤ 10μM
NMDZ1-4-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic	Eukaryotes	320	0.65	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	912	0.60	Binding ≤ 10μM
Z104302-1-O	Glutamate NMDA Receptor (cluster #1 Of 3), Other	Other	800	0.61	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-2.74	0.62	-69.16	4	6	-1	128	224.173	7	↓ MOL2 SDF SMILES Flexibase

19632758

Analogs

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And 2 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
A2AIR5-1-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #1 Of 2), Eukaryotic	Eukaryotes	320	0.65	Binding ≤ 10μM
NMD3A-2-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic	Eukaryotes	461	0.63	Binding ≤ 10μM
NMD3B-2-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic	Eukaryotes	320	0.65	Binding ≤ 10μM
NMD3B-2-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic	Eukaryotes	461	0.63	Binding ≤ 10μM
NMDE1-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	461	0.63	Binding ≤ 10μM
NMDE1-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	730	0.61	Binding ≤ 10μM
NMDE2-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic	Eukaryotes	320	0.65	Binding ≤ 10μM
NMDE2-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic	Eukaryotes	461	0.63	Binding ≤ 10μM
NMDE3-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	320	0.65	Binding ≤ 10μM
NMDE3-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	461	0.63	Binding ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	730	0.61	Binding ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	2660	0.56	Binding ≤ 10μM
NMDZ1-4-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic	Eukaryotes	320	0.65	Binding ≤ 10μM
NMDZ1-4-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic	Eukaryotes	461	0.63	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	912	0.60	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	912	0.60	Binding ≤ 10μM
Z104302-1-O	Glutamate NMDA Receptor (cluster #1 Of 3), Other	Other	800	0.61	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-2.74	0.63	-68.99	4	6	-1	128	224.173	7	↓ MOL2 SDF SMILES Flexibase

3870321

Analogs

34438976
34438977
34438978
34586605

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	10000	0.58	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-2.11	-1.32	-95.09	2	5	-1	96	172.16	2	↓ MOL2 SDF SMILES Flexibase

2567711

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: L-CCG-I L-CCG-I

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRIA1-3-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #3 Of 4), Eukaryotic	Eukaryotes	600	0.79	Binding ≤ 10μM
GRIA2-3-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #3 Of 4), Eukaryotic	Eukaryotes	600	0.79	Binding ≤ 10μM
GRIA3-3-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	600	0.79	Binding ≤ 10μM
GRIA4-3-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #3 Of 5), Eukaryotic	Eukaryotes	600	0.79	Binding ≤ 10μM
GRIK1-3-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #3 Of 3), Eukaryotic	Eukaryotes	1600	0.74	Binding ≤ 10μM
GRIK2-2-E	Glutamate Receptor Ionotropic Kainate 2 (cluster #2 Of 3), Eukaryotic	Eukaryotes	1600	0.74	Binding ≤ 10μM
GRIK3-2-E	Glutamate Receptor Ionotropic Kainate 3 (cluster #2 Of 3), Eukaryotic	Eukaryotes	1600	0.74	Binding ≤ 10μM
GRIK4-2-E	Glutamate Receptor Ionotropic Kainate 4 (cluster #2 Of 2), Eukaryotic	Eukaryotes	1600	0.74	Binding ≤ 10μM
GRIK5-2-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #2 Of 2), Eukaryotic	Eukaryotes	1600	0.74	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	5	1.06	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-2.69	2.3	-80.67	3	5	-1	108	158.133	3	↓ MOL2 SDF SMILES Flexibase

3805040

Analogs

27865868
34369915

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Popular Name: L-687414 L-687414

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMDE3-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	650	0.96	Binding ≤ 10μM
NMDZ1-4-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic	Eukaryotes	2900	0.86	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	2700	0.87	Binding ≤ 10μM
Z50597-6-O	Rattus Norvegicus (cluster #6 Of 12), Other	Other	650	0.96	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.18	-3.93	-48.29	4	4	1	68	131.155	0	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.18	-3.45	-68.24	3	4	0	71	130.147	0	↓ MOL2 SDF SMILES Flexibase

25720502

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ibotenic acid ibotenic acid

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And 7 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	10000	0.64	Binding ≤ 10μM
Z50597-8-O	Rattus Norvegicus (cluster #8 Of 12), Other	Other	9600	0.64	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-3.16	-2.03	-38.98	3	6	-1	112	157.105	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-2.70	-3.63	-100.85	2	6	-2	115	156.097	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-2.70	-4.07	-38.9	4	6	0	114	158.113	2	↓ MOL2 SDF SMILES Flexibase

25720507

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ibotenic acid ibotenic acid

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRIK1-1-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	2430	0.71	Binding ≤ 10μM
GRIK2-3-E	Glutamate Receptor Ionotropic Kainate 2 (cluster #3 Of 3), Eukaryotic	Eukaryotes	3230	0.70	Binding ≤ 10μM
GRIK3-3-E	Glutamate Receptor Ionotropic Kainate 3 (cluster #3 Of 3), Eukaryotic	Eukaryotes	1740	0.73	Binding ≤ 10μM
GRM1-2-E	Metabotropic Glutamate Receptor 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	6000	0.66	Binding ≤ 10μM
GRM3-1-E	Metabotropic Glutamate Receptor 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	10000	0.64	Binding ≤ 10μM
GRM5-2-E	Metabotropic Glutamate Receptor 5 (cluster #2 Of 5), Eukaryotic	Eukaryotes	8000	0.65	Binding ≤ 10μM
GRM1-3-E	Metabotropic Glutamate Receptor 1 (cluster #3 Of 5), Eukaryotic	Eukaryotes	6000	0.66	Functional ≤ 10μM
GRM5-4-E	Metabotropic Glutamate Receptor 5 (cluster #4 Of 5), Eukaryotic	Eukaryotes	6000	0.66	Functional ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	10000	0.64	Binding ≤ 10μM
Z50597-8-O	Rattus Norvegicus (cluster #8 Of 12), Other	Other	9600	0.64	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-3.16	-1.99	-41.18	3	6	-1	112	157.105	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-2.70	-3.67	-101.23	2	6	-2	115	156.097	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-2.70	-4.09	-41.28	4	6	0	114	158.113	2	↓ MOL2 SDF SMILES Flexibase

895342

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: D-Serine D-Serine

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Vendors

And 86 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMDZ1-4-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic	Eukaryotes	670	1.23	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	300	1.30	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-3.67	-3.05	-33.75	4	4	0	88	105.093	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-3.67	-3.44	-40.48	3	4	-1	86	104.085	2	↓ MOL2 SDF SMILES Flexibase

2558026

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: L-CCG-I L-CCG-I

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EAA2-2-E	Excitatory Amino Acid Transporter 2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	4000	0.69	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	10000	0.64	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-2.69	2.66	-94.93	3	5	-1	108	158.133	3	↓ MOL2 SDF SMILES Flexibase

19632959

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: L-AP5 L-AP5

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And 16 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-2-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic	Eukaryotes	3700	0.63	Binding ≤ 10μM
NMD3B-2-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic	Eukaryotes	3700	0.63	Binding ≤ 10μM
NMDE1-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	290	0.76	Binding ≤ 10μM
NMDE1-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	3700	0.63	Binding ≤ 10μM
NMDE2-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic	Eukaryotes	3700	0.63	Binding ≤ 10μM
NMDE3-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	3700	0.63	Binding ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	176	0.79	Binding ≤ 10μM
NMDZ1-4-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic	Eukaryotes	3700	0.63	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	350	0.75	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	420	0.74	Binding ≤ 10μM
Z50597-2-O	Rattus Norvegicus (cluster #2 Of 12), Other	Other	6100	0.61	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-3.75	-0.95	-61.4	4	6	-1	128	196.119	5	↓ MOL2 SDF SMILES Flexibase

19943047

Analogs

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And 12 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-2-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic	Eukaryotes	3700	0.63	Binding ≤ 10μM
NMD3B-2-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic	Eukaryotes	3700	0.63	Binding ≤ 10μM
NMDE1-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	280	0.76	Binding ≤ 10μM
NMDE1-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	3700	0.63	Binding ≤ 10μM
NMDE2-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic	Eukaryotes	460	0.74	Binding ≤ 10μM
NMDE2-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic	Eukaryotes	3700	0.63	Binding ≤ 10μM
NMDE3-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	280	0.76	Binding ≤ 10μM
NMDE3-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	3700	0.63	Binding ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	176	0.79	Binding ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	3710	0.63	Binding ≤ 10μM
NMDZ1-4-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic	Eukaryotes	460	0.74	Binding ≤ 10μM
NMDZ1-4-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic	Eukaryotes	3700	0.63	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	420	0.74	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	880	0.71	Binding ≤ 10μM
Z50597-2-O	Rattus Norvegicus (cluster #2 Of 12), Other	Other	6100	0.61	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-3.75	-0.93	-61.42	4	6	-1	128	196.119	5	↓ MOL2 SDF SMILES Flexibase

901012

Analogs

1733908

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And 53 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMDZ1-4-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic	Eukaryotes	8300	0.71	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	6860	0.72	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-2.61	2.77	-51.87	2	5	-1	97	146.122	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-2.61	0.79	-29.99	3	5	0	94	147.13	4	↓ MOL2 SDF SMILES Flexibase

38327482

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

Tractus
- TRA0010497

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	65	0.72	Binding ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	5200	0.53	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-3.50	1.35	-97.01	3	7	-1	124	223.145	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-3.50	0.12	-109.11	2	7	-2	120	222.137	3	↓ MOL2 SDF SMILES Flexibase

38327484

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

Tractus
- TRA0010497

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	65	0.72	Binding ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	5200	0.53	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-3.50	1.43	-97.26	3	7	-1	124	223.145	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-3.50	0.13	-109.36	2	7	-2	120	222.137	3	↓ MOL2 SDF SMILES Flexibase

19943050

Analogs

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And 5 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	42	0.79	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-3.25	-0.15	-70.77	4	6	-1	128	210.146	6	↓ MOL2 SDF SMILES Flexibase

20112808

Analogs

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And 4 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	42	0.79	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-3.25	-1.17	-79.58	4	6	-1	128	210.146	6	↓ MOL2 SDF SMILES Flexibase

1641373

Analogs

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And 3 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	10000	0.58	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-2.66	2.59	-88.48	3	5	-1	108	172.16	2	↓ MOL2 SDF SMILES Flexibase

895218

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: D-Aspartic acid D-Aspartic acid

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And 119 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	10000	0.78	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-3.52	0.98	-52.92	3	5	-1	108	132.095	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-3.52	-1	-32.03	4	5	0	105	133.103	3	↓ MOL2 SDF SMILES Flexibase

22309331

Analogs

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-2-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic	Eukaryotes	26	0.82	Binding ≤ 10μM
NMD3B-2-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic	Eukaryotes	26	0.82	Binding ≤ 10μM
NMDE1-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	26	0.82	Binding ≤ 10μM
NMDE1-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	35	0.80	Binding ≤ 10μM
NMDE2-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic	Eukaryotes	26	0.82	Binding ≤ 10μM
NMDE3-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	26	0.82	Binding ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	26	0.82	Binding ≤ 10μM
NMDZ1-4-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic	Eukaryotes	26	0.82	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	35	0.80	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-3.23	-0.61	-61.13	4	6	-1	128	208.13	4	↓ MOL2 SDF SMILES Flexibase

22309336

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-2-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic	Eukaryotes	26	0.82	Binding ≤ 10μM
NMD3B-2-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic	Eukaryotes	26	0.82	Binding ≤ 10μM
NMDE1-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	26	0.82	Binding ≤ 10μM
NMDE2-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic	Eukaryotes	26	0.82	Binding ≤ 10μM
NMDE3-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	26	0.82	Binding ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	26	0.82	Binding ≤ 10μM
NMDZ1-4-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic	Eukaryotes	26	0.82	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	35	0.80	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-3.23	-1.56	-82.99	4	6	-1	128	208.13	4	↓ MOL2 SDF SMILES Flexibase

28767538

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: DNC012574 DNC012574

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Vendors

None

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	452	0.63	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-2.61	-0.24	-82.84	3	6	-1	117	222.157	3	↓ MOL2 SDF SMILES Flexibase

40698243

Analogs

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	4400	0.62	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-4.82	-0.05	-64.88	4	6	-1	123	173.148	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-4.82	0.2	-77.69	5	6	0	125	174.156	2	↓ MOL2 SDF SMILES Flexibase

28768623

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: USAN) USAN)

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Vendors

American Custom Chemicals Corp.
- API0004153
ChemMol
- 96708113

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
A2AIR5-2-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 2), Eukaryotic	Eukaryotes	95	0.70	Binding ≤ 10μM
AA3R-6-E	Adenosine Receptor A3 (cluster #6 Of 6), Eukaryotic	Eukaryotes	967	0.60	Binding ≤ 10μM
GRINA-1-E	Glutamate [NMDA] Receptor Associated Protein 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	29	0.75	Binding ≤ 10μM
NMD3A-2-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic	Eukaryotes	69	0.72	Binding ≤ 10μM
NMD3B-2-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic	Eukaryotes	95	0.70	Binding ≤ 10μM
NMDE1-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	54	0.73	Binding ≤ 10μM
NMDE2-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic	Eukaryotes	54	0.73	Binding ≤ 10μM
NMDE3-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	54	0.73	Binding ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	99	0.70	Binding ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic	Eukaryotes	54	0.73	Binding ≤ 10μM
A2AIR5-1-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #1 Of 1), Eukaryotic	Eukaryotes	1600	0.58	Functional ≤ 10μM
NMD3B-2-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 2), Eukaryotic	Eukaryotes	1600	0.58	Functional ≤ 10μM
NMDE1-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1600	0.58	Functional ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1600	0.58	Functional ≤ 10μM
NMDE3-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #2 Of 2), Eukaryotic	Eukaryotes	1600	0.58	Functional ≤ 10μM
NMDE4-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1600	0.58	Functional ≤ 10μM
NMDZ1-1-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	1600	0.58	Functional ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	87	0.71	Binding ≤ 10μM
Z104302-1-O	Glutamate NMDA Receptor (cluster #1 Of 3), Other	Other	22	0.77	Functional ≤ 10μM
Z50597-2-O	Rattus Norvegicus (cluster #2 Of 12), Other	Other	1100	0.60	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-2.61	0.05	-70.08	3	6	-1	117	222.157	3	↓ MOL2 SDF SMILES Flexibase

28966172

Analogs

40163607
21793998
21794001
21797432

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	1100	0.60	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.07	6.08	-43.28	3	1	1	28	190.31	1	↓ MOL2 SDF SMILES Flexibase

1482113

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: L-Glutamic acid L-Glutamic acid

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Vendors

And 145 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA3R-6-E	Adenosine Receptor A3 (cluster #6 Of 6), Eukaryotic	Eukaryotes	613	0.87	Binding ≤ 10μM
EAA3-2-E	Excitatory Amino Acid Transporter 3 (cluster #2 Of 2), Eukaryotic	Eukaryotes	51	1.02	Binding ≤ 10μM
GRIA1-3-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #3 Of 4), Eukaryotic	Eukaryotes	1360	0.82	Binding ≤ 10μM
GRIA2-3-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #3 Of 4), Eukaryotic	Eukaryotes	940	0.84	Binding ≤ 10μM
GRIA3-3-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	500	0.88	Binding ≤ 10μM
GRIA4-3-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #3 Of 5), Eukaryotic	Eukaryotes	868	0.85	Binding ≤ 10μM
GRIK1-3-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #3 Of 3), Eukaryotic	Eukaryotes	701	0.86	Binding ≤ 10μM
GRIK2-2-E	Glutamate Receptor Ionotropic Kainate 2 (cluster #2 Of 3), Eukaryotic	Eukaryotes	1106	0.83	Binding ≤ 10μM
GRIK3-2-E	Glutamate Receptor Ionotropic Kainate 3 (cluster #2 Of 3), Eukaryotic	Eukaryotes	789	0.85	Binding ≤ 10μM
GRIK4-2-E	Glutamate Receptor Ionotropic Kainate 4 (cluster #2 Of 2), Eukaryotic	Eukaryotes	700	0.86	Binding ≤ 10μM
GRIK5-2-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #2 Of 2), Eukaryotic	Eukaryotes	700	0.86	Binding ≤ 10μM
GRM1-3-E	Metabotropic Glutamate Receptor 1 (cluster #3 Of 3), Eukaryotic	Eukaryotes	570	0.87	Binding ≤ 10μM
GRM2-1-E	Metabotropic Glutamate Receptor 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	7400	0.72	Binding ≤ 10μM
GRM3-1-E	Metabotropic Glutamate Receptor 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	3000	0.77	Binding ≤ 10μM
GRM4-3-E	Metabotropic Glutamate Receptor 4 (cluster #3 Of 3), Eukaryotic	Eukaryotes	2400	0.79	Binding ≤ 10μM
GRM5-4-E	Metabotropic Glutamate Receptor 5 (cluster #4 Of 5), Eukaryotic	Eukaryotes	4100	0.75	Binding ≤ 10μM
GRM6-1-E	Metabotropic Glutamate Receptor 6 (cluster #1 Of 1), Eukaryotic	Eukaryotes	7600	0.72	Binding ≤ 10μM
GRM8-1-E	Metabotropic Glutamate Receptor 8 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3400	0.77	Binding ≤ 10μM
NMDZ1-4-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic	Eukaryotes	450	0.89	Binding ≤ 10μM
GRIA1-3-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #3 Of 3), Eukaryotic	Eukaryotes	6160	0.73	Functional ≤ 10μM
GRIA2-3-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #3 Of 4), Eukaryotic	Eukaryotes	6200	0.73	Functional ≤ 10μM
GRIA3-2-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #2 Of 2), Eukaryotic	Eukaryotes	3660	0.76	Functional ≤ 10μM
GRM1-4-E	Metabotropic Glutamate Receptor 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	10000	0.70	Functional ≤ 10μM
GRM2-1-E	Metabotropic Glutamate Receptor 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	8500	0.71	Functional ≤ 10μM
GRM3-1-E	Metabotropic Glutamate Receptor 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	9000	0.71	Functional ≤ 10μM
GRM4-1-E	Metabotropic Glutamate Receptor 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	6100	0.73	Functional ≤ 10μM
GRM5-5-E	Metabotropic Glutamate Receptor 5 (cluster #5 Of 5), Eukaryotic	Eukaryotes	4900	0.74	Functional ≤ 10μM
GRM6-1-E	Metabotropic Glutamate Receptor 6 (cluster #1 Of 2), Eukaryotic	Eukaryotes	7600	0.72	Functional ≤ 10μM
GRM8-1-E	Metabotropic Glutamate Receptor 8 (cluster #1 Of 2), Eukaryotic	Eukaryotes	9500	0.70	Functional ≤ 10μM
NMDE1-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1800	0.80	Functional ≤ 10μM
NMDZ1-1-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	1800	0.80	Functional ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	870	0.85	Binding ≤ 10μM
Z50597-3-O	Rattus Norvegicus (cluster #3 Of 5), Other	Other	170	0.95	Binding ≤ 10μM
Z50597-7-O	Rattus Norvegicus (cluster #7 Of 12), Other	Other	1300	0.82	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-3.25	1.74	-73.91	3	5	-1	108	146.122	4	↓ MOL2 SDF SMILES Flexibase

29568948

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

American Custom Chemicals Corp.
- CCH0007736

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	88	0.43	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.79	4.34	-85.59	4	6	-1	128	334.288	6	↓ MOL2 SDF SMILES Flexibase

26279023

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

ChemMol
- 96711199

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	98	0.61	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.89	2.56	-65.41	3	6	-1	117	250.211	5	↓ MOL2 SDF SMILES Flexibase

35999642

Analogs

2278
409

Draw Identity 99% 90% 80% 70%

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Vendors

And 19 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-2-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic	Eukaryotes	420	0.56	Binding ≤ 10μM
NMD3B-2-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic	Eukaryotes	420	0.56	Binding ≤ 10μM
NMDE1-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	420	0.56	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic	Eukaryotes	420	0.56	Binding ≤ 10μM
NMDE3-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	420	0.56	Binding ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	420	0.56	Binding ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic	Eukaryotes	420	0.56	Binding ≤ 10μM
Z104297-3-O	Glutamate NMDA Receptor; GRIN1/GRIN2B (cluster #3 Of 3), Other	Other	3200	0.48	Binding ≤ 10μM
Z104298-2-O	Glutamate NMDA Receptor; GRIN1/GRIN2A (cluster #2 Of 2), Other	Other	6100	0.46	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	860	0.53	Binding ≤ 10μM
Z104302-1-O	Glutamate NMDA Receptor (cluster #1 Of 3), Other	Other	8860	0.44	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.96	5.47	-6.64	1	2	0	29	237.73	2	↓ MOL2 SDF SMILES Flexibase

36294079

Analogs

2278
409

Draw Identity 99% 90% 80% 70%

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Vendors

And 16 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-2-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic	Eukaryotes	420	0.56	Binding ≤ 10μM
NMD3B-2-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic	Eukaryotes	420	0.56	Binding ≤ 10μM
NMDE1-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	420	0.56	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic	Eukaryotes	420	0.56	Binding ≤ 10μM
NMDE3-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	420	0.56	Binding ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	420	0.56	Binding ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic	Eukaryotes	420	0.56	Binding ≤ 10μM
Z104297-3-O	Glutamate NMDA Receptor; GRIN1/GRIN2B (cluster #3 Of 3), Other	Other	3200	0.48	Binding ≤ 10μM
Z104298-2-O	Glutamate NMDA Receptor; GRIN1/GRIN2A (cluster #2 Of 2), Other	Other	6100	0.46	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	860	0.53	Binding ≤ 10μM
Z104302-1-O	Glutamate NMDA Receptor (cluster #1 Of 3), Other	Other	8860	0.44	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.96	5.44	-6.15	1	2	0	29	237.73	2	↓ MOL2 SDF SMILES Flexibase

895124

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: D-Glutamic acid D-Glutamic acid

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Vendors

And 120 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MURI-2-B	Glutamate Racemase (cluster #2 Of 2), Bacterial	Bacteria	5800	0.73	Binding ≤ 10μM
GRIA1-3-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #3 Of 4), Eukaryotic	Eukaryotes	1362	0.82	Binding ≤ 10μM
GRIA2-3-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #3 Of 4), Eukaryotic	Eukaryotes	940	0.84	Binding ≤ 10μM
GRIA3-3-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	500	0.88	Binding ≤ 10μM
GRIA4-3-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #3 Of 5), Eukaryotic	Eukaryotes	868	0.85	Binding ≤ 10μM
GRIK1-3-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #3 Of 3), Eukaryotic	Eukaryotes	701	0.86	Binding ≤ 10μM
GRIK2-2-E	Glutamate Receptor Ionotropic Kainate 2 (cluster #2 Of 3), Eukaryotic	Eukaryotes	1106	0.83	Binding ≤ 10μM
GRIK3-2-E	Glutamate Receptor Ionotropic Kainate 3 (cluster #2 Of 3), Eukaryotic	Eukaryotes	789	0.85	Binding ≤ 10μM
GRIK4-2-E	Glutamate Receptor Ionotropic Kainate 4 (cluster #2 Of 2), Eukaryotic	Eukaryotes	400	0.90	Binding ≤ 10μM
GRIK5-2-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #2 Of 2), Eukaryotic	Eukaryotes	400	0.90	Binding ≤ 10μM
GRM1-3-E	Metabotropic Glutamate Receptor 1 (cluster #3 Of 3), Eukaryotic	Eukaryotes	4900	0.74	Binding ≤ 10μM
GRM2-1-E	Metabotropic Glutamate Receptor 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	290	0.92	Binding ≤ 10μM
GRM3-1-E	Metabotropic Glutamate Receptor 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1900	0.80	Binding ≤ 10μM
GRM4-3-E	Metabotropic Glutamate Receptor 4 (cluster #3 Of 3), Eukaryotic	Eukaryotes	9800	0.70	Binding ≤ 10μM
GRM5-4-E	Metabotropic Glutamate Receptor 5 (cluster #4 Of 5), Eukaryotic	Eukaryotes	3100	0.77	Binding ≤ 10μM
GRM6-1-E	Metabotropic Glutamate Receptor 6 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4900	0.74	Binding ≤ 10μM
NMDE1-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	200	0.94	Binding ≤ 10μM
NMDE2-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic	Eukaryotes	200	0.94	Binding ≤ 10μM
NMDE3-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	200	0.94	Binding ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	200	0.94	Binding ≤ 10μM
GRIA1-3-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #3 Of 3), Eukaryotic	Eukaryotes	214	0.93	Functional ≤ 10μM
GRIA2-3-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #3 Of 4), Eukaryotic	Eukaryotes	214	0.93	Functional ≤ 10μM
GRIA3-2-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #2 Of 2), Eukaryotic	Eukaryotes	214	0.93	Functional ≤ 10μM
GRIA4-2-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #2 Of 3), Eukaryotic	Eukaryotes	214	0.93	Functional ≤ 10μM
GRM1-4-E	Metabotropic Glutamate Receptor 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	1050	0.84	Functional ≤ 10μM
GRM8-1-E	Metabotropic Glutamate Receptor 8 (cluster #1 Of 2), Eukaryotic	Eukaryotes	8000	0.71	Functional ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	80	0.99	Binding ≤ 10μM
Z50597-7-O	Rattus Norvegicus (cluster #7 Of 12), Other	Other	2500	0.78	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-3.25	1.72	-74	3	5	-1	108	146.122	4	↓ MOL2 SDF SMILES Flexibase

34676245

Analogs

34676244

Draw Identity 99% 90% 80% 70%

Popular Name: D-Cycloserine D-Cycloserine

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Vendors

And 79 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMDZ1-4-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic	Eukaryotes	7370	1.03	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	2300	1.13	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	DL
Ref Reference (pH 7)	-1.71	-5.16	-42.02	3	4	0	72	102.093	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	-1.71	-6.26	-6.38	3	4	0	68	102.093	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.71	-5.45	-42.88	2	4	-1	71	101.085	↓ MOL2 SDF SMILES Flexibase

4658552

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Glycine Glycine

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Vendors

And 142 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLRA1-2-E	Glycine Receptor Subunit Alpha-1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	6000	1.46	Binding ≤ 10μM
GLRA2-2-E	Glycine Receptor Subunit Alpha-2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	6000	1.46	Binding ≤ 10μM
GLRA3-2-E	Glycine Receptor Alpha-3 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	6000	1.46	Binding ≤ 10μM
GLRA4-2-E	Glycine Receptor Alpha-4 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	6000	1.46	Binding ≤ 10μM
GLRB-2-E	Glycine Receptor Beta Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	6000	1.46	Binding ≤ 10μM
NMDZ1-4-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic	Eukaryotes	6200	1.46	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	86	1.98	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-2.55	-0.44	-40.12	3	3	0	68	75.067	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-2.55	-0.82	-42.26	2	3	-1	66	74.059	1	↓ MOL2 SDF SMILES Flexibase

22441635

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: D-CPP-ene D-CPP-ene

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Vendors

And 4 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	40	0.65	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-3.31	-0.82	-66.93	3	7	-1	120	249.183	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-3.31	1.33	-136.4	2	7	-2	120	248.175	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-3.31	0.29	-149.83	2	7	-2	123	248.175	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = Z104302-3-O
target.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'Z104302-3-O' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

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Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "target.name": "Z104302-3-O",        
        "target.type": "B10"        

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