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ZINC Item

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12037844

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methylsulfanylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide N-(4-methylsulfanylphenyl)-6,7,8…

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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)	4.64	-1.26	-12.99	2	3	0	45	336.46	3	↓ MOL2 SDF SMILES Flexibase

22364242

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-acetylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide N-(3-acetylphenyl)-6,7,8,9-tetra…

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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	9.47	-21.94	2	4	0	62	332.403	3	↓ MOL2 SDF SMILES Flexibase

13012409

Analogs

16482985

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide N-(4-methoxyphenyl)-6,7,8,9-tetr…

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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)	4.26	8.28	-13.34	2	4	0	54	320.392	3	↓ MOL2 SDF SMILES Flexibase

13258368

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[[(6R)-6-methyl6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]amino]benzoyl]amino]acetic 2-[[4-[[(6R)-6-methyl6,7,8,9-tet…

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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)	1.96	8.75	-53.41	3	7	-1	114	404.446	5	↓ MOL2 SDF SMILES Flexibase

13258369

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[[(6S)-6-methyl6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]amino]benzoyl]amino]acetic 2-[[4-[[(6S)-6-methyl6,7,8,9-tet…

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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)	1.96	8.75	-53.44	3	7	-1	114	404.446	5	↓ MOL2 SDF SMILES Flexibase

13258371

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonylamino)benzoyl]amino]acetic 2-[[4-(6,7,8,9-tetrahydro-5H-car…

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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)	1.73	7.23	-55.11	3	7	-1	114	390.419	5	↓ MOL2 SDF SMILES Flexibase

13258547

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-3-[[(6R)-6-methyl6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]amino]benzoic 4-methyl-3-[[(6R)-6-methyl6,7,8,…

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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	11.06	-71.08	2	5	-1	85	361.421	3	↓ MOL2 SDF SMILES Flexibase

13258548

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-3-[[(6S)-6-methyl6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]amino]benzoic 4-methyl-3-[[(6S)-6-methyl6,7,8,…

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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	11.06	-71.05	2	5	-1	85	361.421	3	↓ MOL2 SDF SMILES Flexibase

13258551

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-3-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonylamino)benzoic 4-methyl-3-(6,7,8,9-tetrahydro-5…

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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)	4.49	9.4	-72.19	2	5	-1	85	347.394	3	↓ MOL2 SDF SMILES Flexibase

13259425

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(6R)-6-methyl6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]amino]benzoic 3-[[(6R)-6-methyl6,7,8,9-tetrahy…

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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	10.18	-70.11	2	5	-1	85	347.394	3	↓ MOL2 SDF SMILES Flexibase

13259426

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(6S)-6-methyl6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]amino]benzoic 3-[[(6S)-6-methyl6,7,8,9-tetrahy…

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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	10.17	-70.1	2	5	-1	85	347.394	3	↓ MOL2 SDF SMILES Flexibase

13259429

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonylamino)benzoic 3-(6,7,8,9-tetrahydro-5H-carbazo…

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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	8.61	-71.37	2	5	-1	85	333.367	3	↓ MOL2 SDF SMILES Flexibase

13259642

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(6R)-6-methyl6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]amino]benzoic 4-[[(6R)-6-methyl6,7,8,9-tetrahy…

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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)	4.34	10.15	-58.34	2	5	-1	85	347.394	3	↓ MOL2 SDF SMILES Flexibase

13259643

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(6S)-6-methyl6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]amino]benzoic 4-[[(6S)-6-methyl6,7,8,9-tetrahy…

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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)	4.34	10.15	-58.36	2	5	-1	85	347.394	3	↓ MOL2 SDF SMILES Flexibase

13259646

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonylamino)benzoic 4-(6,7,8,9-tetrahydro-5H-carbazo…

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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)	4.11	8.64	-59.52	2	5	-1	85	333.367	3	↓ MOL2 SDF SMILES Flexibase

13261093

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-methoxy-4-[[(6R)-6-methyl6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]amino]benzoic 5-chloro-2-methoxy-4-[[(6R)-6-me…

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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	10.86	-56.67	2	6	-1	94	411.865	4	↓ MOL2 SDF SMILES Flexibase

13261094

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-methoxy-4-[[(6S)-6-methyl6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]amino]benzoic 5-chloro-2-methoxy-4-[[(6S)-6-me…

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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	10.86	-56.74	2	6	-1	94	411.865	4	↓ MOL2 SDF SMILES Flexibase

13261097

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-methoxy-4-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonylamino)benzoic 5-chloro-2-methoxy-4-(6,7,8,9-te…

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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)	4.79	10.26	-56.84	2	6	-1	94	397.838	4	↓ MOL2 SDF SMILES Flexibase

13404100

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[[(6R)-6-methyl6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]amino]phenyl]prop-2-enoic (E)-3-[4-[[(6R)-6-methyl6,7,8,9-…

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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)	4.40	11.46	-59.83	2	5	-1	85	373.432	4	↓ MOL2 SDF SMILES Flexibase

13404104

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[[(6S)-6-methyl6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]amino]phenyl]prop-2-enoic (E)-3-[4-[[(6S)-6-methyl6,7,8,9-…

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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)	4.40	11.46	-59.83	2	5	-1	85	373.432	4	↓ MOL2 SDF SMILES Flexibase

13404112

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonylamino)phenyl]prop-2-enoic (E)-3-[4-(6,7,8,9-tetrahydro-5H-…

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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)	4.17	9.84	-59.11	2	5	-1	85	359.405	4	↓ MOL2 SDF SMILES Flexibase

23042640

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-(3-chloro-4-methoxy-phenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (6R)-N-(3-chloro-4-methoxy-pheny…

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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)	5.09	9.38	-19.24	2	4	0	54	368.864	3	↓ MOL2 SDF SMILES Flexibase

23042641

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-(3-chloro-4-methoxy-phenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (6S)-N-(3-chloro-4-methoxy-pheny…

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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)	5.09	9.39	-15.17	2	4	0	54	368.864	3	↓ MOL2 SDF SMILES Flexibase

23042823

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-6-methyl-N-(m-tolyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (6R)-6-methyl-N-(m-tolyl)-6,7,8,…

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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)	4.86	10.19	-15.73	2	3	0	45	318.42	2	↓ MOL2 SDF SMILES Flexibase

23042824

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-6-methyl-N-(m-tolyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (6S)-6-methyl-N-(m-tolyl)-6,7,8,…

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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)	4.86	10.18	-15.74	2	3	0	45	318.42	2	↓ MOL2 SDF SMILES Flexibase

13425937

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-[[(6R)-6-methyl6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]amino]benzoic 4-chloro-3-[[(6R)-6-methyl6,7,8,…

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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)	4.95	10.77	-61.26	2	5	-1	85	381.839	3	↓ MOL2 SDF SMILES Flexibase

13425938

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-[[(6S)-6-methyl6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]amino]benzoic 4-chloro-3-[[(6S)-6-methyl6,7,8,…

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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)	4.95	10.77	-61.22	2	5	-1	85	381.839	3	↓ MOL2 SDF SMILES Flexibase

13425941

Analogs

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Popular Name: 4-chloro-3-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonylamino)benzoic 4-chloro-3-(6,7,8,9-tetrahydro-5…

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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	9.23	-62.07	2	5	-1	85	367.812	3	↓ MOL2 SDF SMILES Flexibase

13426285

Analogs

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Popular Name: 5-[[(6R)-6-methyl6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]amino]benzene-1,3-dicarboxylic 5-[[(6R)-6-methyl6,7,8,9-tetrahy…

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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)	4.18	10.73	-123.49	2	7	-2	125	390.395	4	↓ MOL2 SDF SMILES Flexibase

13426286

Analogs

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Popular Name: 5-[[(6S)-6-methyl6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]amino]benzene-1,3-dicarboxylic 5-[[(6S)-6-methyl6,7,8,9-tetrahy…

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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)	4.18	10.73	-123.53	2	7	-2	125	390.395	4	↓ MOL2 SDF SMILES Flexibase

13426287

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonylamino)benzene-1,3-dicarboxylic 5-(6,7,8,9-tetrahydro-5H-carbazo…

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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)	3.95	8.21	-126.5	2	7	-2	125	376.368	4	↓ MOL2 SDF SMILES Flexibase

57273086

Analogs

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Popular Name: N-[2-(2-methoxyethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide N-[2-(2-methoxyethoxy)phenyl]-6,…

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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)	4.10	8.61	-13.65	2	5	0	63	364.445	6	↓ MOL2 SDF SMILES Flexibase

58310906

Analogs

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Popular Name: N-[5-(dimethylcarbamoyl)-2-methyl-phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide N-[5-(dimethylcarbamoyl)-2-methy…

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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)	3.54	9.72	-23.2	2	5	0	65	375.472	3	↓ MOL2 SDF SMILES Flexibase

15940912

Analogs

15940914
25522127
25522132
12996571
12996574

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Popular Name: (6R)-N-[4-(dimethylcarbamoyl)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (6R)-N-[4-(dimethylcarbamoyl)phe…

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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)	3.40	9.46	-20.18	2	5	0	65	375.472	3	↓ MOL2 SDF SMILES Flexibase

15940914

Analogs

25522127
25522132
12996571
12996574

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[4-(dimethylcarbamoyl)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (6S)-N-[4-(dimethylcarbamoyl)phe…

Find On: PubMed — Wikipedia — Google

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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)	3.40	9.46	-20.16	2	5	0	65	375.472	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 83991
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 = 83991 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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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": "83991"        

    });
</script>

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