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ZINC Item

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20124854

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]benzamide 3-[[(5R)-6,7,8,9-tetrahydro-5H-b…

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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)	3.46	6.73	-11	3	3	0	55	280.371	3	↓ MOL2 SDF SMILES Flexibase

20124855

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]benzamide 3-[[(5S)-6,7,8,9-tetrahydro-5H-b…

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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)	3.46	6.73	-11.01	3	3	0	55	280.371	3	↓ MOL2 SDF SMILES Flexibase

19992629

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (5R)-N-(4-chlorophenyl)-6,7,8,9-…

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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)	5.34	10.22	-4	1	1	0	12	271.791	2	↓ MOL2 SDF SMILES Flexibase

19992632

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (5S)-N-(4-chlorophenyl)-6,7,8,9-…

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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)	5.34	10.22	-4.02	1	1	0	12	271.791	2	↓ MOL2 SDF SMILES Flexibase

19999629

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9R)-N-(2-ethylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9R)-N-(2-ethylphenyl)-6,7,8,9-t…

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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)	5.53	11.18	-3.42	1	1	0	12	265.4	3	↓ MOL2 SDF SMILES Flexibase

19999631

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9S)-N-(2-ethylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9S)-N-(2-ethylphenyl)-6,7,8,9-t…

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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)	5.53	11.5	-3.71	1	1	0	12	265.4	3	↓ MOL2 SDF SMILES Flexibase

20000445

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9R)-N-(4-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9R)-N-(4-ethoxyphenyl)-6,7,8,9-…

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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)	5.10	9.93	-5.07	1	2	0	21	281.399	4	↓ MOL2 SDF SMILES Flexibase

20000448

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9S)-N-(4-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9S)-N-(4-ethoxyphenyl)-6,7,8,9-…

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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)	5.10	9.93	-5.12	1	2	0	21	281.399	4	↓ MOL2 SDF SMILES Flexibase

20003793

Analogs

21799873
21799876
21817036
21817038
21817354

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-(2-bromophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (5R)-N-(2-bromophenyl)-6,7,8,9-t…

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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)	5.42	10.4	-2.92	1	1	0	12	316.242	2	↓ MOL2 SDF SMILES Flexibase

20003796

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N-(2-bromophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (5S)-N-(2-bromophenyl)-6,7,8,9-t…

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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)	5.42	10.71	-3.17	1	1	0	12	316.242	2	↓ MOL2 SDF SMILES Flexibase

36138798

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-6-[[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]benzonitrile 2-fluoro-6-[[(5S)-6,7,8,9-tetrah…

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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	10.41	-7.91	1	2	0	36	280.346	2	↓ MOL2 SDF SMILES Flexibase

36138801

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-6-[[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]benzonitrile 2-fluoro-6-[[(5R)-6,7,8,9-tetrah…

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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	10.08	-7.26	1	2	0	36	280.346	2	↓ MOL2 SDF SMILES Flexibase

36335380

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N1,N1-dimethyl-N4-[(9R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-yl]benzene-1,4-diamine N1,N1-dimethyl-N4-[(9R)-6,7,8,9-…

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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)	4.76	10.43	-4.26	1	2	0	15	280.415	3	↓ MOL2 SDF SMILES Flexibase

36335381

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N1,N1-dimethyl-N4-[(9S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-yl]benzene-1,4-diamine N1,N1-dimethyl-N4-[(9S)-6,7,8,9-…

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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)	4.76	10.1	-4.19	1	2	0	15	280.415	3	↓ MOL2 SDF SMILES Flexibase

36973220

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-[[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]benzonitrile 2-chloro-5-[[(5S)-6,7,8,9-tetrah…

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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)	5.02	10.8	-6.59	1	2	0	36	296.801	2	↓ MOL2 SDF SMILES Flexibase

36973222

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-[[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]benzonitrile 2-chloro-5-[[(5R)-6,7,8,9-tetrah…

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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)	5.02	10.47	-6.32	1	2	0	36	296.801	2	↓ MOL2 SDF SMILES Flexibase

36974584

Analogs

21796918

Draw Identity 99% 90% 80% 70%

Popular Name: (9R)-N-(2-propylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9R)-N-(2-propylphenyl)-6,7,8,9-…

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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)	5.92	12.16	-3.12	1	1	0	12	279.427	4	↓ MOL2 SDF SMILES Flexibase

36974586

Analogs

21796918

Draw Identity 99% 90% 80% 70%

Popular Name: (9S)-N-(2-propylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9S)-N-(2-propylphenyl)-6,7,8,9-…

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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)	5.92	11.99	-2.79	1	1	0	12	279.427	4	↓ MOL2 SDF SMILES Flexibase

37070100

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N-(4-chloro-3-fluoro-phenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (5S)-N-(4-chloro-3-fluoro-phenyl…

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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)	5.43	10.57	-4.48	1	1	0	12	289.781	2	↓ MOL2 SDF SMILES Flexibase

37070101

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-(4-chloro-3-fluoro-phenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (5R)-N-(4-chloro-3-fluoro-phenyl…

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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)	5.43	10.23	-4.18	1	1	0	12	289.781	2	↓ MOL2 SDF SMILES Flexibase

37071416

Analogs

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Popular Name: 2-[4-[[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]phenyl]acetonitrile 2-[4-[[(5S)-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)	4.63	11.17	-8.74	1	2	0	36	276.383	3	↓ MOL2 SDF SMILES Flexibase

37071417

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]phenyl]acetonitrile 2-[4-[[(5R)-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)	4.63	10.84	-8.14	1	2	0	36	276.383	3	↓ MOL2 SDF SMILES Flexibase

37072250

Analogs

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Popular Name: 3-bromo-4-[[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]benzonitrile 3-bromo-4-[[(5S)-6,7,8,9-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)	5.16	11.1	-5.83	1	2	0	36	341.252	2	↓ MOL2 SDF SMILES Flexibase

37072251

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-4-[[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]benzonitrile 3-bromo-4-[[(5R)-6,7,8,9-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)	5.16	10.75	-5.37	1	2	0	36	341.252	2	↓ MOL2 SDF SMILES Flexibase

37091340

Analogs

22148837

Draw Identity 99% 90% 80% 70%

Popular Name: (9R)-N-(5-bromo-2-methyl-phenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9R)-N-(5-bromo-2-methyl-phenyl)…

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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)	5.85	11.42	-3.77	1	1	0	12	330.269	2	↓ MOL2 SDF SMILES Flexibase

37091341

Analogs

22148837

Draw Identity 99% 90% 80% 70%

Popular Name: (9S)-N-(5-bromo-2-methyl-phenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9S)-N-(5-bromo-2-methyl-phenyl)…

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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)	5.85	11.09	-3.56	1	1	0	12	330.269	2	↓ MOL2 SDF SMILES Flexibase

37105386

Analogs

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Popular Name: (5S)-N-(2-chloro-4-iodo-phenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (5S)-N-(2-chloro-4-iodo-phenyl)-…

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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)	6.35	11.67	-2.68	1	1	0	12	397.687	2	↓ MOL2 SDF SMILES Flexibase

37105387

Analogs

21802287
21518556
20479105

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-(2-chloro-4-iodo-phenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (5R)-N-(2-chloro-4-iodo-phenyl)-…

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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)	6.35	11.34	-2.36	1	1	0	12	397.687	2	↓ MOL2 SDF SMILES Flexibase

70330714

Analogs

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Popular Name: 2-fluoro-4-[[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]phenol 2-fluoro-4-[[(5S)-6,7,8,9-tetrah…

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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	7.21	-5.89	2	2	0	32	271.335	2	↓ MOL2 SDF SMILES Flexibase

70330715

Analogs

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Popular Name: 2-fluoro-4-[[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]phenol 2-fluoro-4-[[(5R)-6,7,8,9-tetrah…

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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	6.87	-5.82	2	2	0	32	271.335	2	↓ MOL2 SDF SMILES Flexibase

37290448

Analogs

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Popular Name: (9R)-N-(3-fluoro-4-methoxy-phenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9R)-N-(3-fluoro-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)	4.81	9.36	-7.32	1	2	0	21	285.362	3	↓ MOL2 SDF SMILES Flexibase

37290449

Analogs

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Popular Name: (9S)-N-(3-fluoro-4-methoxy-phenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9S)-N-(3-fluoro-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)	4.81	9.03	-7.15	1	2	0	21	285.362	3	↓ MOL2 SDF SMILES Flexibase

37307707

Analogs

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Popular Name: 4-[[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]benzoic 4-[[(5S)-6,7,8,9-tetrahydro-5H-b…

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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)	4.57	10.54	-52.77	1	3	-1	52	280.347	3	↓ MOL2 SDF SMILES Flexibase

37307708

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]benzoic 4-[[(5R)-6,7,8,9-tetrahydro-5H-b…

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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)	4.57	10.2	-52.57	1	3	-1	52	280.347	3	↓ MOL2 SDF SMILES Flexibase

37308076

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]benzoic 3-[[(5S)-6,7,8,9-tetrahydro-5H-b…

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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)	4.55	10.56	-51.49	1	3	-1	52	280.347	3	↓ MOL2 SDF SMILES Flexibase

37308077

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]benzoic 3-[[(5R)-6,7,8,9-tetrahydro-5H-b…

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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)	4.55	10.22	-51.37	1	3	-1	52	280.347	3	↓ MOL2 SDF SMILES Flexibase

37308369

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]benzoic 2-[[(5S)-6,7,8,9-tetrahydro-5H-b…

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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)	4.71	10.75	-52.6	1	3	-1	52	280.347	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.71	8.78	-6.2	2	3	0	49	281.355	3	↓ MOL2 SDF SMILES Flexibase

37308370

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]benzoic 2-[[(5R)-6,7,8,9-tetrahydro-5H-b…

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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)	4.71	10.44	-51.27	1	3	-1	52	280.347	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.71	8.44	-6.18	2	3	0	49	281.355	3	↓ MOL2 SDF SMILES Flexibase

49542064

Analogs

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Popular Name: (1S)-1-[2-[[(9R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-yl]amino]phenyl]ethanol (1S)-1-[2-[[(9R)-6,7,8,9-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	8.28	-5.48	2	2	0	32	281.399	3	↓ MOL2 SDF SMILES Flexibase

49542065

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-[[(9R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-yl]amino]phenyl]ethanol (1R)-1-[2-[[(9R)-6,7,8,9-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	8.18	-5.37	2	2	0	32	281.399	3	↓ MOL2 SDF SMILES Flexibase

49542066

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-[[(9S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-yl]amino]phenyl]ethanol (1S)-1-[2-[[(9S)-6,7,8,9-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	7.94	-4.97	2	2	0	32	281.399	3	↓ MOL2 SDF SMILES Flexibase

49542067

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-[[(9S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-yl]amino]phenyl]ethanol (1R)-1-[2-[[(9S)-6,7,8,9-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	8.01	-5.07	2	2	0	32	281.399	3	↓ MOL2 SDF SMILES Flexibase

38119487

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(5R)-5-(4-chloroanilino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl]methanol [(5R)-5-(4-chloroanilino)-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)	4.78	6.79	-3.7	2	2	0	32	301.817	3	↓ MOL2 SDF SMILES Flexibase

38119488

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(5S)-5-(4-chloroanilino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl]methanol [(5S)-5-(4-chloroanilino)-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)	4.78	6.77	-3.69	2	2	0	32	301.817	3	↓ MOL2 SDF SMILES Flexibase

38119813

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(5R)-5-(2-fluoroanilino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl]methanol [(5R)-5-(2-fluoroanilino)-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)	4.22	6.34	-4.75	2	2	0	32	285.362	3	↓ MOL2 SDF SMILES Flexibase

38119814

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(5S)-5-(2-fluoroanilino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl]methanol [(5S)-5-(2-fluoroanilino)-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)	4.22	6.31	-4.7	2	2	0	32	285.362	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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