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

Vendor Notes

Note Type	Comments	Provided By
UniProt Database Links	1A110_ARATH; 1A111_ARATH; 1A112_ARATH; 1A11_ARATH; 1A11_CUCMA; 1A11_CUCPE; 1A11_ORYSI; 1A11_ORYSJ; 1A11_PRUMU; 1A12_ARATH; 1A12_CUCMA; 1A12_CUCPE; 1A12_SOLLC; 1A13_SOLLC; 1A14_ARATH; 1A14_SOLLC; 1A15_ARATH; 1A16_ARATH; 1A17_ARATH; 1A18_ARATH; 1A19_ARATH	ChEBI
Mp [°C]	221.6 - 225	Acros Organics
MP	229-231 °C(lit.)	Indofine
MP	229-231°	Oakwood Chemical
Mp [°C]	257	Acros Organics
MP	257 - 259	Enamine Building Blocks
MP	257...259	Enamine Building Blocks
ALOGPS_SOLUBILITY	4.37e+02 g/l	DrugBank-experimental
purity	9.500000000000000e+001	Enamine Building Blocks Enamine Building Blocks
Purity	95+%	Matrix Scientific
Purity	97%	Fluorochem
Purity	98%	Fluorochem
Melting_Point	ca 220? dec.	Alfa-Aesar
Melting_Point	ca 220° dec.	Alfa-Aesar
Patent Database Links	EP1649857; EP1932852	ChEBI
H phrase	H315: Causes skin irritation	Acros Organics
H phrase	H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation	Acros Organics
H phrase	H319: Causes serious eye irritation	Acros Organics
H phrase	H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation	Acros Organics
Warnings	IRRITANT	Matrix Scientific
Therapy	NMDA partial agonist (gly)	SMDC MicroSource
P phrase	P261: Avoid breathing dust/fume/gas/mist/vapors/spray	Acros Organics
P phrase	P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiously with wate	Acros Organics
P phrase	P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water	Acros Organics
R phrase	R36/37/38: Irritating to eyes, respiratory system and skin.	Acros Organics
S phrase	S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.	Acros Organics
S phrase	S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection.	Acros Organics
Hazard	XI: Irritant	Acros Organics

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	1.48	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
Z104302	Z104302	Glutamate NMDA Receptor	140	1.37	Binding ≤ 1μM
Z104302	Z104302	Glutamate NMDA Receptor	140	1.37	Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.

Synonyms (31)
Vendors (57)
Annotations (23)
Representations (2)
Notes (28)
Targets (2)
Clustered (1)
Reactome (0)
Rings (0)
Analogs (0)