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)	0.34	2.06	-57.44	8	12	-1	217	554.624	16	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.34	2.36	-80.09	9	12	0	218	555.632	16	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.34	0.38	-58.57	10	12	1	216	556.64	16	↓ MOL2 SDF SMILES Flexibase

36215611

Analogs

36215620
36215642
36215645
42807318
43439733

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	6	0.28	Binding ≤ 10μM
OPRM-1-E	Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	4	0.29	Binding ≤ 10μM
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	8	0.28	Functional ≤ 10μM
OPRM-1-E	Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	8	0.28	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	2.5	0.29	Binding ≤ 1μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	2.21	0.30	Binding ≤ 1μM
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	2.5	0.29	Binding ≤ 10μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	2.21	0.30	Binding ≤ 10μM
OPRD_MOUSE	P32300	Delta Opioid Receptor, Mouse	8.26	0.28	Functional ≤ 10μM
OPRM_HUMAN	P35372	Mu Opioid Receptor, Human	7.63	0.28	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)	0.48	-0.47	-57.38	10	12	1	207	569.683	15	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.48	-0.75	-21.12	9	12	0	206	568.675	15	↓ MOL2 SDF SMILES Flexibase

36215614

Analogs

36215620
36215642
36215645
42807318
43439733

Draw Identity 99% 90% 80% 70%

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	6	0.28	Binding ≤ 10μM
OPRM-1-E	Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	4	0.29	Binding ≤ 10μM
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	8	0.28	Functional ≤ 10μM
OPRM-1-E	Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	8	0.28	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	2.5	0.29	Binding ≤ 1μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	2.21	0.30	Binding ≤ 1μM
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	2.5	0.29	Binding ≤ 10μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	2.21	0.30	Binding ≤ 10μM
OPRD_MOUSE	P32300	Delta Opioid Receptor, Mouse	8.26	0.28	Functional ≤ 10μM
OPRM_HUMAN	P35372	Mu Opioid Receptor, Human	7.63	0.28	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)	0.48	-0.45	-56.45	10	12	1	207	569.683	15	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.48	-0.79	-19.64	9	12	0	206	568.675	15	↓ MOL2 SDF SMILES Flexibase

36215617

Analogs

36215620
36215642
36215645
42807318
43439733

Draw Identity 99% 90% 80% 70%

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	6	0.28	Binding ≤ 10μM
OPRM-1-E	Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	4	0.29	Binding ≤ 10μM
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	8	0.28	Functional ≤ 10μM
OPRM-1-E	Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	8	0.28	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	2.5	0.29	Binding ≤ 1μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	2.21	0.30	Binding ≤ 1μM
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	2.5	0.29	Binding ≤ 10μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	2.21	0.30	Binding ≤ 10μM
OPRD_MOUSE	P32300	Delta Opioid Receptor, Mouse	8.26	0.28	Functional ≤ 10μM
OPRM_HUMAN	P35372	Mu Opioid Receptor, Human	7.63	0.28	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)	0.48	-0.47	-56.38	10	12	1	207	569.683	15	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.48	-0.75	-19.74	9	12	0	206	568.675	15	↓ MOL2 SDF SMILES Flexibase

36215620

Analogs

36215642
36215645
42807318
43439733
43439734

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	6	0.28	Binding ≤ 10μM
OPRM-1-E	Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	4	0.29	Binding ≤ 10μM
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	8	0.28	Functional ≤ 10μM
OPRM-1-E	Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	8	0.28	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	2.5	0.29	Binding ≤ 1μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	2.21	0.30	Binding ≤ 1μM
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	2.5	0.29	Binding ≤ 10μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	2.21	0.30	Binding ≤ 10μM
OPRD_MOUSE	P32300	Delta Opioid Receptor, Mouse	8.26	0.28	Functional ≤ 10μM
OPRM_HUMAN	P35372	Mu Opioid Receptor, Human	7.63	0.28	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)	0.48	-0.45	-57.38	10	12	1	207	569.683	15	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.48	-0.79	-20.95	9	12	0	206	568.675	15	↓ MOL2 SDF SMILES Flexibase

36215642

Analogs

36215645
42807318
43439733
43439734
43439736

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	9	0.27	Binding ≤ 10μM
OPRM-1-E	Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	6	0.27	Binding ≤ 10μM
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	46	0.24	Functional ≤ 10μM
OPRM-1-E	Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	29	0.25	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	4.06	0.28	Binding ≤ 1μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	10.1	0.27	Binding ≤ 1μM
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	4.06	0.28	Binding ≤ 10μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	10.1	0.27	Binding ≤ 10μM
OPRD_MOUSE	P32300	Delta Opioid Receptor, Mouse	45.6	0.24	Functional ≤ 10μM
OPRM_HUMAN	P35372	Mu Opioid Receptor, Human	28.7	0.25	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)	1.02	0.19	-57.33	10	12	1	207	583.71	16	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.02	-0.11	-19.88	9	12	0	206	582.702	16	↓ MOL2 SDF SMILES Flexibase

36215645

Analogs

42807318
43439733
43439734
43439736
43439738

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	9	0.27	Binding ≤ 10μM
OPRM-1-E	Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	6	0.27	Binding ≤ 10μM
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	46	0.24	Functional ≤ 10μM
OPRM-1-E	Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	29	0.25	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	4.06	0.28	Binding ≤ 1μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	10.1	0.27	Binding ≤ 1μM
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	4.06	0.28	Binding ≤ 10μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	10.1	0.27	Binding ≤ 10μM
OPRD_MOUSE	P32300	Delta Opioid Receptor, Mouse	45.6	0.24	Functional ≤ 10μM
OPRM_HUMAN	P35372	Mu Opioid Receptor, Human	28.7	0.25	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)	1.02	0.19	-57.31	10	12	1	207	583.71	16	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.02	-0.11	-20.05	9	12	0	206	582.702	16	↓ MOL2 SDF SMILES Flexibase

36215647

Analogs

36215650
27411202
27413379

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	7	0.27	Binding ≤ 10μM
OPRM-1-E	Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	6	0.27	Binding ≤ 10μM
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	21	0.25	Functional ≤ 10μM
OPRM-1-E	Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	23	0.25	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	3.1	0.28	Binding ≤ 1μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	3.27	0.28	Binding ≤ 1μM
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	3.1	0.28	Binding ≤ 10μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	3.27	0.28	Binding ≤ 10μM
OPRD_MOUSE	P32300	Delta Opioid Receptor, Mouse	21	0.25	Functional ≤ 10μM
OPRM_HUMAN	P35372	Mu Opioid Receptor, Human	23.2	0.25	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)	1.58	0.94	-57.49	10	12	1	207	597.737	17	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.58	0.64	-19.73	9	12	0	206	596.729	17	↓ MOL2 SDF SMILES Flexibase

36215650

Analogs

36215647
27411202

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	7	0.27	Binding ≤ 10μM
OPRM-1-E	Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	6	0.27	Binding ≤ 10μM
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	21	0.25	Functional ≤ 10μM
OPRM-1-E	Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	23	0.25	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	3.1	0.28	Binding ≤ 1μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	3.27	0.28	Binding ≤ 1μM
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	3.1	0.28	Binding ≤ 10μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	3.27	0.28	Binding ≤ 10μM
OPRD_MOUSE	P32300	Delta Opioid Receptor, Mouse	21	0.25	Functional ≤ 10μM
OPRM_HUMAN	P35372	Mu Opioid Receptor, Human	23.2	0.25	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)	1.58	0.94	-57.36	10	12	1	207	597.737	17	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.58	0.64	-19.88	9	12	0	206	596.729	17	↓ MOL2 SDF SMILES Flexibase

36215652

Analogs

36215655
34970022
34970023
3951243

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	10	0.25	Binding ≤ 10μM
OPRM-1-E	Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	4	0.27	Binding ≤ 10μM
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	25	0.24	Functional ≤ 10μM
OPRM-1-E	Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	25	0.24	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	4.35	0.27	Binding ≤ 1μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	2.27	0.28	Binding ≤ 1μM
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	4.35	0.27	Binding ≤ 10μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	2.27	0.28	Binding ≤ 10μM
OPRD_MOUSE	P32300	Delta Opioid Receptor, Mouse	25.2	0.24	Functional ≤ 10μM
OPRM_HUMAN	P35372	Mu Opioid Receptor, Human	24.6	0.24	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)	2.08	1.72	-57.74	10	12	1	207	611.764	18	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.08	1.39	-19.68	9	12	0	206	610.756	18	↓ MOL2 SDF SMILES Flexibase

36215655

Analogs

34970022
34970023
3951243

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	10	0.25	Binding ≤ 10μM
OPRM-1-E	Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	4	0.27	Binding ≤ 10μM
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	25	0.24	Functional ≤ 10μM
OPRM-1-E	Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	25	0.24	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	4.35	0.27	Binding ≤ 1μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	2.27	0.28	Binding ≤ 1μM
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	4.35	0.27	Binding ≤ 10μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	2.27	0.28	Binding ≤ 10μM
OPRD_MOUSE	P32300	Delta Opioid Receptor, Mouse	25.2	0.24	Functional ≤ 10μM
OPRM_HUMAN	P35372	Mu Opioid Receptor, Human	24.6	0.24	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)	2.08	1.72	-57.62	10	12	1	207	611.764	18	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.08	1.39	-19.77	9	12	0	206	610.756	18	↓ MOL2 SDF SMILES Flexibase

36215797

Analogs

36215800
36215803
36215806
43322907
43323034

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	50	0.24	Binding ≤ 10μM
OPRM-1-E	Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	158	0.23	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	140	0.23	Binding ≤ 1μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	158	0.23	Binding ≤ 1μM
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	140	0.23	Binding ≤ 10μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	158	0.23	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)	-0.54	4.11	-86.92	8	12	0	204	583.686	15	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.54	3.72	-56.73	7	12	-1	203	582.678	15	↓ MOL2 SDF SMILES Flexibase

36215800

Analogs

36215803
36215806
43322907
43323034
36215797

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	50	0.24	Binding ≤ 10μM
OPRM-1-E	Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	158	0.23	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	140	0.23	Binding ≤ 1μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	158	0.23	Binding ≤ 1μM
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	140	0.23	Binding ≤ 10μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	158	0.23	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)	-0.54	4.06	-89.69	8	12	0	204	583.686	15	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.54	3.82	-55.42	7	12	-1	203	582.678	15	↓ MOL2 SDF SMILES Flexibase

36215803

Analogs

36215806
43322907
43323034
36215797
36215800

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	50	0.24	Binding ≤ 10μM
OPRM-1-E	Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	158	0.23	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	140	0.23	Binding ≤ 1μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	158	0.23	Binding ≤ 1μM
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	140	0.23	Binding ≤ 10μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	158	0.23	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)	-0.54	3.99	-91.88	8	12	0	204	583.686	15	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.54	3.61	-56.42	7	12	-1	203	582.678	15	↓ MOL2 SDF SMILES Flexibase

36215806

Analogs

43322907
43323034
36215797
36215800

Draw Identity 99% 90% 80% 70%

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	50	0.24	Binding ≤ 10μM
OPRM-1-E	Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	158	0.23	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	140	0.23	Binding ≤ 1μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	158	0.23	Binding ≤ 1μM
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	140	0.23	Binding ≤ 10μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	158	0.23	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)	-0.54	3.95	-92.24	8	12	0	204	583.686	15	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.54	3.7	-57.49	7	12	-1	203	582.678	15	↓ MOL2 SDF SMILES Flexibase

26144216

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	47	0.23	Binding ≤ 10μM
OPRM-1-E	Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	22	0.24	Binding ≤ 10μM
Z50512-1-O	Cavia Porcellus (cluster #1 Of 7), Other	Other	210	0.21	Functional ≤ 10μM
Z50594-4-O	Mus Musculus (cluster #4 Of 9), Other	Other	123	0.21	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD_HUMAN	P41143	Delta Opioid Receptor, Human	47.2	0.23	Binding ≤ 1μM
OPRM_HUMAN	P35372	Mu Opioid Receptor, Human	21.7	0.24	Binding ≤ 1μM
OPRD_HUMAN	P41143	Delta Opioid Receptor, Human	47.2	0.23	Binding ≤ 10μM
OPRM_HUMAN	P35372	Mu Opioid Receptor, Human	21.7	0.24	Binding ≤ 10μM
Z50512	Z50512	Cavia Porcellus	210	0.21	Functional ≤ 10μM
Z50594	Z50594	Mus Musculus	123	0.21	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)	-2.09	-0.14	-101.62	10	14	0	247	626.711	18	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-2.09	-0.48	-65.59	9	14	-1	246	625.703	18	↓ MOL2 SDF SMILES Flexibase

56897636

Analogs

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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)	-0.13	0.72	-17.72	8	12	0	197	600.742	16	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 40761
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 40761 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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    window.zinc.embed('zinc-link', {
        "ring.id": "40761"        

    });
</script>

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Parameters Provided:

Structural Results Found: (before additional filtering)

SQL Query Was

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