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ZINC Item

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35370683

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)propanoic (3S)-3-(7-ethyl-1H-indol-3-yl)-3…

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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)	4.20	11.22	-47.61	1	3	-1	56	310.348	5	↓ MOL2 SDF SMILES Flexibase

35370684

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)propanoic (3R)-3-(7-ethyl-1H-indol-3-yl)-3…

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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)	4.20	11.23	-48.71	1	3	-1	56	310.348	5	↓ MOL2 SDF SMILES Flexibase

35370690

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanoic (3S)-3-(3,5-dimethoxyphenyl)-3-(…

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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)	4.08	9.76	-54.76	1	5	-1	74	352.41	7	↓ MOL2 SDF SMILES Flexibase

35370692

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanoic (3R)-3-(3,5-dimethoxyphenyl)-3-(…

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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)	4.08	9.77	-54.13	1	5	-1	74	352.41	7	↓ MOL2 SDF SMILES Flexibase

35370888

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(2-dimethylaminoethyl)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)propanamide (3S)-N-(2-dimethylaminoethyl)-3-…

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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)	3.22	9.62	-46.57	3	4	1	49	354.449	7	↓ MOL2 SDF SMILES Flexibase

35370889

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2-dimethylaminoethyl)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)propanamide (3R)-N-(2-dimethylaminoethyl)-3-…

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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)	3.22	9.62	-46.56	3	4	1	49	354.449	7	↓ MOL2 SDF SMILES Flexibase

35370892

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-pentyl-propanamide (3S)-3-(4-fluorophenyl)-3-(1H-in…

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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)	5.14	10.65	-12.21	2	3	0	45	352.453	8	↓ MOL2 SDF SMILES Flexibase

35370893

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-pentyl-propanamide (3R)-3-(4-fluorophenyl)-3-(1H-in…

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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)	5.14	10.65	-12.22	2	3	0	45	352.453	8	↓ MOL2 SDF SMILES Flexibase

35370896

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide (3S)-3-(4-fluorophenyl)-3-(1H-in…

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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)	3.45	8.16	-12.9	2	4	0	54	354.425	8	↓ MOL2 SDF SMILES Flexibase

35370897

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide (3R)-3-(4-fluorophenyl)-3-(1H-in…

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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)	3.45	8.16	-12.88	2	4	0	54	354.425	8	↓ MOL2 SDF SMILES Flexibase

35370900

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-isobutyl-propanamide (3S)-3-(4-fluorophenyl)-3-(1H-in…

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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)	4.32	9.84	-12.06	2	3	0	45	338.426	6	↓ MOL2 SDF SMILES Flexibase

35370901

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-isobutyl-propanamide (3R)-3-(4-fluorophenyl)-3-(1H-in…

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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)	4.32	9.84	-12.02	2	3	0	45	338.426	6	↓ MOL2 SDF SMILES Flexibase

35370927

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide (3S)-3-(4-fluorophenyl)-3-(1H-in…

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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)	3.18	7.41	-12.47	2	4	0	54	340.398	7	↓ MOL2 SDF SMILES Flexibase

35370929

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide (3R)-3-(4-fluorophenyl)-3-(1H-in…

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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)	3.18	7.41	-12.74	2	4	0	54	340.398	7	↓ MOL2 SDF SMILES Flexibase

35370931

Analogs

35768504
35768505

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-isopentyl-propanamide (3S)-3-(4-fluorophenyl)-3-(1H-in…

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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)	4.85	10.38	-12.16	2	3	0	45	352.453	7	↓ MOL2 SDF SMILES Flexibase

35370932

Analogs

35768504
35768505

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-isopentyl-propanamide (3R)-3-(4-fluorophenyl)-3-(1H-in…

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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)	4.85	10.38	-12.13	2	3	0	45	352.453	7	↓ MOL2 SDF SMILES Flexibase

35371025

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(3,5-dimethoxyphenyl)-N,N-diethyl-3-(1H-indol-3-yl)propanamide (3S)-3-(3,5-dimethoxyphenyl)-N,N…

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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)	4.07	9.9	-13.22	1	5	0	55	380.488	8	↓ MOL2 SDF SMILES Flexibase

35371026

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(3,5-dimethoxyphenyl)-N,N-diethyl-3-(1H-indol-3-yl)propanamide (3R)-3-(3,5-dimethoxyphenyl)-N,N…

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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)	4.07	9.9	-13.28	1	5	0	55	380.488	8	↓ MOL2 SDF SMILES Flexibase

35371035

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(3,5-dimethoxyphenyl)-N-(2-dimethylaminoethyl)-3-(1H-indol-3-yl)propanamide (3S)-3-(3,5-dimethoxyphenyl)-N-(…

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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)	3.10	8.14	-46.22	3	6	1	68	396.511	9	↓ MOL2 SDF SMILES Flexibase

35371036

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(3,5-dimethoxyphenyl)-N-(2-dimethylaminoethyl)-3-(1H-indol-3-yl)propanamide (3R)-3-(3,5-dimethoxyphenyl)-N-(…

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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)	3.10	8.15	-46.19	3	6	1	68	396.511	9	↓ MOL2 SDF SMILES Flexibase

35371039

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(3,5-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-pentyl-propanamide (3S)-3-(3,5-dimethoxyphenyl)-3-(…

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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)	5.01	9.17	-13.34	2	5	0	63	394.515	10	↓ MOL2 SDF SMILES Flexibase

35371040

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(3,5-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-pentyl-propanamide (3R)-3-(3,5-dimethoxyphenyl)-3-(…

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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)	5.01	9.18	-13.37	2	5	0	63	394.515	10	↓ MOL2 SDF SMILES Flexibase

35371041

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(3,5-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide (3S)-3-(3,5-dimethoxyphenyl)-3-(…

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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)	3.33	6.7	-14.67	2	6	0	73	396.487	10	↓ MOL2 SDF SMILES Flexibase

35371042

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(3,5-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide (3R)-3-(3,5-dimethoxyphenyl)-3-(…

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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)	3.33	6.7	-14.7	2	6	0	73	396.487	10	↓ MOL2 SDF SMILES Flexibase

35371055

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(3,5-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide (3S)-3-(3,5-dimethoxyphenyl)-3-(…

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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)	3.06	5.95	-14.52	2	6	0	73	382.46	9	↓ MOL2 SDF SMILES Flexibase

35371056

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(3,5-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide (3R)-3-(3,5-dimethoxyphenyl)-3-(…

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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)	3.06	5.95	-14.73	2	6	0	73	382.46	9	↓ MOL2 SDF SMILES Flexibase

35371059

Analogs

6778403
6778406

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(3,5-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-isopentyl-propanamide (3S)-3-(3,5-dimethoxyphenyl)-3-(…

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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)	4.72	8.9	-13.31	2	5	0	63	394.515	9	↓ MOL2 SDF SMILES Flexibase

35371060

Analogs

6778403
6778406

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(3,5-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-isopentyl-propanamide (3R)-3-(3,5-dimethoxyphenyl)-3-(…

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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)	4.72	8.91	-13.24	2	5	0	63	394.515	9	↓ MOL2 SDF SMILES Flexibase

35371130

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(1H-indol-3-yl)-3-(m-tolyl)-N-propyl-propanamide (3S)-3-(1H-indol-3-yl)-3-(m-toly…

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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)	4.33	9.7	-12	2	3	0	45	320.436	6	↓ MOL2 SDF SMILES Flexibase

35371131

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(1H-indol-3-yl)-3-(m-tolyl)-N-propyl-propanamide (3R)-3-(1H-indol-3-yl)-3-(m-toly…

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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)	4.33	9.69	-11.99	2	3	0	45	320.436	6	↓ MOL2 SDF SMILES Flexibase

35371140

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2-dimethylaminoethyl)-3-(1H-indol-3-yl)-3-(m-tolyl)propanamide (3R)-N-(2-dimethylaminoethyl)-3-…

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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)	3.48	10.21	-45.14	3	4	1	49	350.486	7	↓ MOL2 SDF SMILES Flexibase

35371141

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(2-dimethylaminoethyl)-3-(1H-indol-3-yl)-3-(m-tolyl)propanamide (3S)-N-(2-dimethylaminoethyl)-3-…

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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)	3.48	10.21	-45.15	3	4	1	49	350.486	7	↓ MOL2 SDF SMILES Flexibase

35371144

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(1H-indol-3-yl)-3-(m-tolyl)-N-pentyl-propanamide (3S)-3-(1H-indol-3-yl)-3-(m-toly…

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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)	5.40	11.25	-11.86	2	3	0	45	348.49	8	↓ MOL2 SDF SMILES Flexibase

35371145

Analogs

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Popular Name: (3R)-3-(1H-indol-3-yl)-3-(m-tolyl)-N-pentyl-propanamide (3R)-3-(1H-indol-3-yl)-3-(m-toly…

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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)	5.40	11.25	-11.83	2	3	0	45	348.49	8	↓ MOL2 SDF SMILES Flexibase

35371148

Analogs

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Popular Name: (3R)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)-3-(m-tolyl)propanamide (3R)-3-(1H-indol-3-yl)-N-(3-meth…

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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)	3.71	8.76	-12.44	2	4	0	54	350.462	8	↓ MOL2 SDF SMILES Flexibase

35371149

Analogs

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Popular Name: (3S)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)-3-(m-tolyl)propanamide (3S)-3-(1H-indol-3-yl)-N-(3-meth…

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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)	3.71	8.76	-12.46	2	4	0	54	350.462	8	↓ MOL2 SDF SMILES Flexibase

35371182

Analogs

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Popular Name: (3S)-3-(1H-indol-3-yl)-N-pentyl-3-phenyl-propanamide (3S)-3-(1H-indol-3-yl)-N-pentyl-…

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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)	4.97	10.58	-11.77	2	3	0	45	334.463	8	↓ MOL2 SDF SMILES Flexibase

35371183

Analogs

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Popular Name: (3R)-3-(1H-indol-3-yl)-N-pentyl-3-phenyl-propanamide (3R)-3-(1H-indol-3-yl)-N-pentyl-…

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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)	4.97	10.58	-11.79	2	3	0	45	334.463	8	↓ MOL2 SDF SMILES Flexibase

35371194

Analogs

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Popular Name: (3S)-3-(1H-indol-3-yl)-N-isopentyl-3-phenyl-propanamide (3S)-3-(1H-indol-3-yl)-N-isopent…

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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)	4.68	10.31	-11.76	2	3	0	45	334.463	7	↓ MOL2 SDF SMILES Flexibase

35371195

Analogs

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Popular Name: (3R)-3-(1H-indol-3-yl)-N-isopentyl-3-phenyl-propanamide (3R)-3-(1H-indol-3-yl)-N-isopent…

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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)	4.68	10.31	-11.72	2	3	0	45	334.463	7	↓ MOL2 SDF SMILES Flexibase

35371234

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Popular Name: (3S)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-propyl-propanamide (3S)-3-(3-chlorophenyl)-3-(1H-in…

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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)	4.56	9.55	-13.34	2	3	0	45	340.854	6	↓ MOL2 SDF SMILES Flexibase

35371235

Analogs

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Popular Name: (3R)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-propyl-propanamide (3R)-3-(3-chlorophenyl)-3-(1H-in…

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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)	4.56	9.55	-13.33	2	3	0	45	340.854	6	↓ MOL2 SDF SMILES Flexibase

35371240

Analogs

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Popular Name: (3S)-3-(3-chlorophenyl)-N-(2-dimethylaminoethyl)-3-(1H-indol-3-yl)propanamide (3S)-3-(3-chlorophenyl)-N-(2-dim…

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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)	3.71	10.07	-46.92	3	4	1	49	370.904	7	↓ MOL2 SDF SMILES Flexibase

35371241

Analogs

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Popular Name: (3R)-3-(3-chlorophenyl)-N-(2-dimethylaminoethyl)-3-(1H-indol-3-yl)propanamide (3R)-3-(3-chlorophenyl)-N-(2-dim…

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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)	3.71	10.06	-46.95	3	4	1	49	370.904	7	↓ MOL2 SDF SMILES Flexibase

35371244

Analogs

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Popular Name: (3S)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide (3S)-3-(3-chlorophenyl)-3-(1H-in…

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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)	3.94	8.61	-13.82	2	4	0	54	370.88	8	↓ MOL2 SDF SMILES Flexibase

35371245

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide (3R)-3-(3-chlorophenyl)-3-(1H-in…

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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)	3.94	8.61	-13.81	2	4	0	54	370.88	8	↓ MOL2 SDF SMILES Flexibase

35371256

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide (3S)-3-(3-chlorophenyl)-3-(1H-in…

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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)	3.67	7.86	-13.38	2	4	0	54	356.853	7	↓ MOL2 SDF SMILES Flexibase

35371257

Analogs

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Popular Name: (3R)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide (3R)-3-(3-chlorophenyl)-3-(1H-in…

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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)	3.67	7.86	-13.84	2	4	0	54	356.853	7	↓ MOL2 SDF SMILES Flexibase

35371268

Analogs

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Popular Name: (3S)-N-(2-dimethylaminoethyl)-3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)propanamide (3S)-N-(2-dimethylaminoethyl)-3-…

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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)	4.09	11.02	-46.35	3	4	1	49	382.503	8	↓ MOL2 SDF SMILES Flexibase

35371269

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2-dimethylaminoethyl)-3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)propanamide (3R)-N-(2-dimethylaminoethyl)-3-…

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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)	4.09	11.03	-46.27	3	4	1	49	382.503	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 16712
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 = 16712 AND c.free = 1 AND c.purchasable = 0    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', {
        "ring.id": "16712"        

    });
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