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ZINC Item

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35371051

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	4.74	14.2	-57.57	2	6	1	59	486.636	11	↓ MOL2 SDF SMILES Flexibase

35371052

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	4.74	14.21	-60.68	2	6	1	59	486.636	11	↓ MOL2 SDF SMILES Flexibase

35371152

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	11.94	-11.6	2	3	0	45	368.48	6	↓ MOL2 SDF SMILES Flexibase

35371153

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	11.94	-11.55	2	3	0	45	368.48	6	↓ MOL2 SDF SMILES Flexibase

35371254

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	5.36	16.12	-58.57	2	4	1	41	461.029	9	↓ MOL2 SDF SMILES Flexibase

35371255

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	5.36	16.12	-63.87	2	4	1	41	461.029	9	↓ MOL2 SDF SMILES Flexibase

35371260

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]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)	5.95	12.82	-13.71	2	3	0	45	456.895	7	↓ MOL2 SDF SMILES Flexibase

35371261

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]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)	5.95	12.82	-14.33	2	3	0	45	456.895	7	↓ MOL2 SDF SMILES Flexibase

35371278

Analogs

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

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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)	5.46	12.75	-11.81	2	3	0	45	400.497	7	↓ MOL2 SDF SMILES Flexibase

35371279

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	5.46	12.75	-11.74	2	3	0	45	400.497	7	↓ MOL2 SDF SMILES Flexibase

35371424

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-benzyl-3-(7-ethyl-1H-indol-3-yl)-3-phenyl-propanamide (3S)-N-benzyl-3-(7-ethyl-1H-indo…

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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)	5.29	12.69	-11.27	2	3	0	45	382.507	7	↓ MOL2 SDF SMILES Flexibase

35371425

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-benzyl-3-(7-ethyl-1H-indol-3-yl)-3-phenyl-propanamide (3R)-N-benzyl-3-(7-ethyl-1H-indo…

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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)	5.29	12.68	-11.29	2	3	0	45	382.507	7	↓ MOL2 SDF SMILES Flexibase

35371432

Analogs

35888876
35888877

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-benzyl-N-(2-dimethylaminoethyl)-3-(7-ethyl-1H-indol-3-yl)-3-phenyl-propanamide (3S)-N-benzyl-N-(2-dimethylamino…

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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)	5.57	17.03	-60.28	2	4	1	41	454.638	10	↓ MOL2 SDF SMILES Flexibase

35371433

Analogs

35888876
35888877

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-benzyl-N-(2-dimethylaminoethyl)-3-(7-ethyl-1H-indol-3-yl)-3-phenyl-propanamide (3R)-N-benzyl-N-(2-dimethylamino…

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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)	5.57	17.01	-55.81	2	4	1	41	454.638	10	↓ MOL2 SDF SMILES Flexibase

35371444

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(7-ethyl-1H-indol-3-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (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)	6.17	13.71	-12.12	2	3	0	45	450.504	8	↓ MOL2 SDF SMILES Flexibase

35371445

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(7-ethyl-1H-indol-3-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (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)	6.17	13.7	-12.64	2	3	0	45	450.504	8	↓ MOL2 SDF SMILES Flexibase

35371514

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-benzyl-3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide (3S)-N-benzyl-3-(3-chlorophenyl)…

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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)	5.95	13.21	-12.77	2	3	0	45	416.952	7	↓ MOL2 SDF SMILES Flexibase

35371515

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-benzyl-3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide (3R)-N-benzyl-3-(3-chlorophenyl)…

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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)	5.95	13.2	-12.76	2	3	0	45	416.952	7	↓ MOL2 SDF SMILES Flexibase

35371542

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(1-methylindol-3-yl)propanamide (3S)-3-(4-fluorophenyl)-N-[(4-fl…

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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)	4.82	13.13	-12.64	1	3	0	34	404.46	6	↓ MOL2 SDF SMILES Flexibase

35371543

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(1-methylindol-3-yl)propanamide (3R)-3-(4-fluorophenyl)-N-[(4-fl…

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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)	4.82	13.13	-12.5	1	3	0	34	404.46	6	↓ MOL2 SDF SMILES Flexibase

35371668

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(3,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-3-(1-methylindol-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)	4.70	11.65	-13.93	1	5	0	53	446.522	8	↓ MOL2 SDF SMILES Flexibase

35371669

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(3,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-3-(1-methylindol-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)	4.70	11.65	-13.88	1	5	0	53	446.522	8	↓ MOL2 SDF SMILES Flexibase

35371676

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-benzyl-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide (3S)-N-benzyl-3-(3,5-dimethoxyph…

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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)	4.54	11.6	-14.04	1	5	0	53	428.532	8	↓ MOL2 SDF SMILES Flexibase

35371677

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-benzyl-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide (3R)-N-benzyl-3-(3,5-dimethoxyph…

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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)	4.54	11.6	-13.97	1	5	0	53	428.532	8	↓ MOL2 SDF SMILES Flexibase

35371808

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(4-fluorophenyl)methyl]-3-(1-methylindol-3-yl)-3-phenyl-propanamide (3S)-N-[(4-fluorophenyl)methyl]-…

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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)	4.66	13.07	-12.15	1	3	0	34	386.47	6	↓ MOL2 SDF SMILES Flexibase

35371809

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(4-fluorophenyl)methyl]-3-(1-methylindol-3-yl)-3-phenyl-propanamide (3R)-N-[(4-fluorophenyl)methyl]-…

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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)	4.66	13.07	-12.07	1	3	0	34	386.47	6	↓ MOL2 SDF SMILES Flexibase

35371816

Analogs

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Popular Name: (3S)-N-benzyl-3-(1-methylindol-3-yl)-3-phenyl-propanamide (3S)-N-benzyl-3-(1-methylindol-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)	4.50	13	-11.73	1	3	0	34	368.48	6	↓ MOL2 SDF SMILES Flexibase

35371817

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-benzyl-3-(1-methylindol-3-yl)-3-phenyl-propanamide (3R)-N-benzyl-3-(1-methylindol-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)	4.50	13	-11.68	1	3	0	34	368.48	6	↓ MOL2 SDF SMILES Flexibase

37380048

Analogs

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Popular Name: (3S)-N-benzyl-3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide (3S)-N-benzyl-3-(4-chlorophenyl)…

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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)	5.97	13.21	-11.05	2	3	0	45	416.952	7	↓ MOL2 SDF SMILES Flexibase

37380052

Analogs

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Popular Name: (3R)-N-benzyl-3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide (3R)-N-benzyl-3-(4-chlorophenyl)…

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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)	5.97	13.2	-11.11	2	3	0	45	416.952	7	↓ MOL2 SDF SMILES Flexibase

37380779

Analogs

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Popular Name: (3S)-N-benzyl-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide (3S)-N-benzyl-3-(1H-indol-3-yl)-…

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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)	5.30	12.3	-14.14	2	3	0	45	422.45	7	↓ MOL2 SDF SMILES Flexibase

37380783

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-benzyl-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide (3R)-N-benzyl-3-(1H-indol-3-yl)-…

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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)	5.30	12.29	-14.16	2	3	0	45	422.45	7	↓ MOL2 SDF SMILES Flexibase

37381666

Analogs

35891791
35891793
35891803
35891805

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-benzyl-3-(1-methylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide (3S)-N-benzyl-3-(1-methylindol-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)	5.37	14.02	-14.15	1	3	0	34	436.477	7	↓ MOL2 SDF SMILES Flexibase

37381669

Analogs

35891791
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Popular Name: (3R)-N-benzyl-3-(1-methylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide (3R)-N-benzyl-3-(1-methylindol-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)	5.37	14.02	-14.12	1	3	0	34	436.477	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 16846
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 = 16846 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=16846&filter.purchasability=annotated

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "16846"        

    });
</script>

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