ZINC 12

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.54	4.21	-24.05	2	3	1	31	166.248	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.54	4.09	-7.02	1	3	0	30	165.24	1	↓ MOL2 SDF SMILES Flexibase

20119809

Analogs

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Popular Name: N-methyl-1-(3-methylisoxazol-5-yl)-N-(4,5,6,7-tetrahydro-2H-indazol-3-ylmethyl)methanamine N-methyl-1-(3-methylisoxazol-5-y…

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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)	1.88	7.1	-52.89	2	5	1	59	261.349	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.88	4.7	-11.18	1	5	0	58	260.341	4	↓ MOL2 SDF SMILES Flexibase

11816310

Analogs

11816311

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Popular Name: [(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-piperidyl]-(2-methyl-4,5,6,7-tetrahydroindazol [(3S)-3-[2-(3,4-dimethoxyphenyl)…

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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)	3.11	1.32	-56.79	1	7	1	61	441.596	7	↓ MOL2 SDF SMILES Flexibase

11816311

Analogs

11816310

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Popular Name: [(3R)-3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-piperidyl]-(2-methyl-4,5,6,7-tetrahydroindazol [(3R)-3-[2-(3,4-dimethoxyphenyl)…

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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)	3.11	1.54	-55.99	1	7	1	61	441.596	7	↓ MOL2 SDF SMILES Flexibase

19445899

Analogs

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Popular Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-2-methyl-4,5,6,7-tetrahydroindazole-3- N-[(1R)-1-(2,3-dihydro-1,4-benzo…

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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)	3.21	7.96	-12.94	1	6	0	65	369.465	4	↓ MOL2 SDF SMILES Flexibase

19445901

Analogs

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Popular Name: N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-2-methyl-4,5,6,7-tetrahydroindazole-3- N-[(1S)-1-(2,3-dihydro-1,4-benzo…

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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)	3.21	8.01	-11.91	1	6	0	65	369.465	4	↓ MOL2 SDF SMILES Flexibase

11818176

Analogs

11818177

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Popular Name: (2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[(3R)-3-(naphthalene-2-carbonyl)-1-piperidyl]methanone (2-methyl-4,5,6,7-tetrahydroinda…

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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	0.78	-11.58	0	5	0	55	401.51	3	↓ MOL2 SDF SMILES Flexibase

11818177

Analogs

11818176

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Popular Name: (2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[(3S)-3-(naphthalene-2-carbonyl)-1-piperidyl]methanone (2-methyl-4,5,6,7-tetrahydroinda…

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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	0.78	-11.97	0	5	0	55	401.51	3	↓ MOL2 SDF SMILES Flexibase

19454781

Analogs

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Popular Name: 1-(1-isopropyl-5-methoxy-indol-3-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamin 1-(1-isopropyl-5-methoxy-indol-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)	3.93	10.78	-48.81	2	5	1	47	367.517	6	↓ MOL2 SDF SMILES Flexibase

11819500

Analogs

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Popular Name: 1-[(1S)-1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-3-(4,5,6,7-tetrahydro-2H-indaz 1-[(1S)-1-(2-fluorophenyl)-1,3,4…

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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)	5.26	12.61	-13.06	2	5	0	65	442.538	4	↓ MOL2 SDF SMILES Flexibase

11819501

Analogs

12194620
12194623
12208216
12208223
38642713

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Popular Name: 1-[(1R)-1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-3-(4,5,6,7-tetrahydro-2H-indaz 1-[(1R)-1-(2-fluorophenyl)-1,3,4…

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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)	5.26	12.61	-13.03	2	5	0	65	442.538	4	↓ MOL2 SDF SMILES Flexibase

11819741

Analogs

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Popular Name: 3-phenyl-N-[2-[1-(4,5,6,7-tetrahydro-2H-indazole-3-carbonyl)-4-piperidyl]pyrazol-3-yl]propanamide 3-phenyl-N-[2-[1-(4,5,6,7-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)	3.26	10.68	-18.7	2	8	0	96	446.555	6	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	3.26	11.12	-18.6	2	8	0	96	446.555	6	↓ MOL2 SDF SMILES Flexibase

11820234

Analogs

11820235

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Popular Name: [(1R)-1-(2-pyridyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4,5,6,7-tetrahydro-2H-indazol-3-yl)m [(1R)-1-(2-pyridyl)-1,3,4,9-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)	3.61	9.89	-11.03	2	6	0	78	397.482	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.61	10.14	-38.72	3	6	1	79	398.49	2	↓ MOL2 SDF SMILES Flexibase

11820235

Analogs

11820234

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Popular Name: [(1S)-1-(2-pyridyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4,5,6,7-tetrahydro-2H-indazol-3-yl)m [(1S)-1-(2-pyridyl)-1,3,4,9-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)	3.61	9.85	-12.04	2	6	0	78	397.482	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.61	10.38	-41.88	3	6	1	79	398.49	2	↓ MOL2 SDF SMILES Flexibase

11821176

Analogs

11821177

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Popular Name: N-methyl-3-[(3S)-1-(2-methyl4,5,6,7-tetrahydroindazole-3-carbonyl)-3-piperidyl]-N-[2-(2-pyridyl)ethy N-methyl-3-[(3S)-1-(2-methyl4,5,…

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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)	2.54	11.24	-14.98	0	7	0	71	437.588	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.54	11.6	-39.16	1	7	1	73	438.596	7	↓ MOL2 SDF SMILES Flexibase

11821177

Analogs

11821176

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Popular Name: N-methyl-3-[(3R)-1-(2-methyl4,5,6,7-tetrahydroindazole-3-carbonyl)-3-piperidyl]-N-[2-(2-pyridyl)ethy N-methyl-3-[(3R)-1-(2-methyl4,5,…

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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)	2.54	-0.19	-15.23	0	7	0	71	437.588	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.54	-0.05	-41.87	1	7	1	73	438.596	7	↓ MOL2 SDF SMILES Flexibase

11838448

Analogs

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Popular Name: [4-[2-(cyclopentylmethyl)imidazo[5,4-b]pyridin-3-yl]-1-piperidyl]-(4,5,6,7-tetrahydro-2H-indazol-3-y [4-[2-(cyclopentylmethyl)imidazo…

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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)	3.91	-3.27	-16.06	1	7	0	80	432.572	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.91	-3.02	-40.4	2	7	1	81	433.58	4	↓ MOL2 SDF SMILES Flexibase

11841587

Analogs

11841588

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Popular Name: (5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-5-[1-(4,5,6,7-tetrahydro-2H-indazole-3-carbonyl)-4-piper (5S)-3-(1,3-benzodioxol-5-ylmeth…

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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)	3.03	-3.98	-18.75	2	10	0	117	493.564	5	↓ MOL2 SDF SMILES Flexibase

11841588

Analogs

11841587

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Popular Name: (5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-5-[1-(4,5,6,7-tetrahydro-2H-indazole-3-carbonyl)-4-piper (5R)-3-(1,3-benzodioxol-5-ylmeth…

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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)	3.03	-3.69	-16.67	2	10	0	117	493.564	5	↓ MOL2 SDF SMILES Flexibase

11843467

Analogs

11843468

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Popular Name: N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(2-methyl4,5,6,7-tetrahydroindazole-3-carbonyl)-3-piperidyl]pr N-[(3-methoxyphenyl)methyl]-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)	3.09	-1.5	-14.36	1	7	0	76	438.572	7	↓ MOL2 SDF SMILES Flexibase

11843468

Analogs

11843467

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Popular Name: N-[(3-methoxyphenyl)methyl]-3-[(3S)-1-(2-methyl4,5,6,7-tetrahydroindazole-3-carbonyl)-3-piperidyl]pr N-[(3-methoxyphenyl)methyl]-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)	3.09	-1.5	-14.25	1	7	0	76	438.572	7	↓ MOL2 SDF SMILES Flexibase

12029128

Analogs

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Popular Name: (2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[7-[(4-phenylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-ben (2-methyl-4,5,6,7-tetrahydroinda…

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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)	3.88	-1.53	-45.95	1	7	1	55	486.64	4	↓ MOL2 SDF SMILES Flexibase

12029864

Analogs

12029867

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Popular Name: [4-[2-[(2S)-tetrahydrofuran-2-yl]benzimidazol-1-yl]-1-piperidyl]-(4,5,6,7-tetrahydro-2H-indazol-3-yl [4-[2-[(2S)-tetrahydrofuran-2-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)	3.20	-3.73	-17.83	1	7	0	76	419.529	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.20	-3.56	-35.26	2	7	1	77	420.537	3	↓ MOL2 SDF SMILES Flexibase

12029867

Analogs

12029864

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Popular Name: [4-[2-[(2R)-tetrahydrofuran-2-yl]benzimidazol-1-yl]-1-piperidyl]-(4,5,6,7-tetrahydro-2H-indazol-3-yl [4-[2-[(2R)-tetrahydrofuran-2-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)	3.20	-3.71	-18	1	7	0	76	419.529	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.20	-3.54	-35.18	2	7	1	77	420.537	3	↓ MOL2 SDF SMILES Flexibase

12030415

Analogs

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Popular Name: N-[[5-methylsulfanyl-4-(o-tolyl)-1,2,4-triazol-3-yl]methyl]-4,5,6,7-tetrahydro-2H-indazole-3-carboxa N-[[5-methylsulfanyl-4-(o-tolyl)…

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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)	2.76	-2.12	-11.38	2	7	0	88	382.493	5	↓ MOL2 SDF SMILES Flexibase

12031035

Analogs

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Popular Name: methyl 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)	2.03	-3.46	-19.42	3	9	0	126	433.468	7	↓ MOL2 SDF SMILES Flexibase

12031915

Analogs

12031918

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Popular Name: [7-[(1S)-1-hydroxy-2,2-diphenyl-ethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4,5,6,7-tetrahydro-2H- [7-[(1S)-1-hydroxy-2,2-diphenyl-…

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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	-2.57	-10.09	2	6	0	78	493.607	5	↓ MOL2 SDF SMILES Flexibase

12031918

Analogs

12031915

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Popular Name: [7-[(1R)-1-hydroxy-2,2-diphenyl-ethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4,5,6,7-tetrahydro-2H- [7-[(1R)-1-hydroxy-2,2-diphenyl-…

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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	-3.27	-12.33	2	6	0	78	493.607	5	↓ MOL2 SDF SMILES Flexibase

12218017

Analogs

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Popular Name: N-[2-[5-(2-chloroprop-2-enylsulfanyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]-4,5,6,7-tetrahydr N-[2-[5-(2-chloroprop-2-enylsulf…

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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)	3.69	-1.57	-16.21	2	7	0	88	460.966	8	↓ MOL2 SDF SMILES Flexibase

12218226

Analogs

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Popular Name: N-cyclopentyl-N-[[4-methoxy-3-(2-thienylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-2H-indazole-3-carb N-cyclopentyl-N-[[4-methoxy-3-(2…

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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)	5.11	-0.44	-13.11	1	6	0	67	465.619	8	↓ MOL2 SDF SMILES Flexibase

22730468

Analogs

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Popular Name: (2S)-2-methyl-4-oxo-2-phenyl-4-(N'-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)hydrazino)butanoic (2S)-2-methyl-4-oxo-2-phenyl-4-(…

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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)	1.74	7	-57.57	3	8	-1	127	369.401	6	↓ MOL2 SDF SMILES Flexibase

22730469

Analogs

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Popular Name: (2R)-2-methyl-4-oxo-2-phenyl-4-(N'-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)hydrazino)butanoic (2R)-2-methyl-4-oxo-2-phenyl-4-(…

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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)	1.74	7	-57.58	3	8	-1	127	369.401	6	↓ MOL2 SDF SMILES Flexibase

56836732

Analogs

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Popular Name: N-[(1R,2S)-3-[[(5S)-5-(3-tert-butylphenyl)-2,4,6,7-tetrahydroindazol-5-yl]amino]-1-[(3,5-difluorophe N-[(1R,2S)-3-[[(5S)-5-(3-tert-bu…

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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	9.62	-47.1	5	6	1	95	511.637	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.64	8.64	-11.95	4	6	0	90	510.629	9	↓ MOL2 SDF SMILES Flexibase

59817209

Analogs

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Popular Name: 3-bromo-2-(4-chloro-2-fluoro-phenyl)-4,5,6,7-tetrahydroindazole 3-bromo-2-(4-chloro-2-fluoro-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)	4.75	9.13	-6.56	0	2	0	18	329.6	1	↓ MOL2 SDF SMILES Flexibase

59817231

Analogs

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Popular Name: 2-(4-chlorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonitrile 2-(4-chlorophenyl)-4,5,6,7-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)	3.51	8.65	-4.91	0	3	0	42	257.724	1	↓ MOL2 SDF SMILES Flexibase

59817251

Analogs

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Popular Name: 2-(4-bromo-2-fluoro-phenyl)-4,5,6,7-tetrahydroindazole-3-carbonitrile 2-(4-bromo-2-fluoro-phenyl)-4,5,…

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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)	3.94	8.97	-5.92	0	3	0	42	320.165	1	↓ MOL2 SDF SMILES Flexibase

59817262

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chloro-2-fluoro-phenyl)-4,5,6,7-tetrahydroindazole-3-carbonitrile 2-(4-chloro-2-fluoro-phenyl)-4,5…

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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)	3.81	8.87	-5.95	0	3	0	42	275.714	1	↓ MOL2 SDF SMILES Flexibase

59817266

Analogs

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Popular Name: 3-bromo-2-(4-chlorophenyl)-4,5,6,7-tetrahydroindazole 3-bromo-2-(4-chlorophenyl)-4,5,6…

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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)	4.45	8.94	-4.71	0	2	0	18	311.61	1	↓ MOL2 SDF SMILES Flexibase

1386300

Analogs

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Popular Name: methyl 4-[3-(2-fluorophenyl)-4,5,6,7-tetrahydro-2H-indazol-2-yl]benzenecarboxylate methyl 4-[3-(2-fluorophenyl)-4,5…

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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)	4.80	3.69	-12.14	0	4	0	44	350.393	4	↓ MOL2 SDF SMILES Flexibase

1386302

Analogs

8782186

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-4-[3-(2-fluorophenyl)-4,5,6,7-tetrahydro-2H-indazol-2-yl]benzenecarboxamide N-cyclopentyl-4-[3-(2-fluorophen…

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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)	5.22	0.88	-15.66	1	4	0	46	403.501	4	↓ MOL2 SDF SMILES Flexibase

1386303

Analogs

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Popular Name: N-(4-fluorobenzyl)-4-[3-(2-fluorophenyl)-4,5,6,7-tetrahydro-2H-indazol-2-yl]benzenecarboxamide N-(4-fluorobenzyl)-4-[3-(2-fluor…

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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)	5.38	13.6	-15.47	1	4	0	47	443.497	5	↓ MOL2 SDF SMILES Flexibase

1386304

Analogs

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Popular Name: 4-[3-(2-fluorophenyl)-4,5,6,7-tetrahydro-2H-indazol-2-yl]-N-(tetrahydro-2-furanylmethyl)benzenecarboxamide 4-[3-(2-fluorophenyl)-4,5,6,7-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)	4.19	-0.55	-15.52	1	5	0	56	419.5	5	↓ MOL2 SDF SMILES Flexibase

1386305

Analogs

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Popular Name: 4-[3-(2-fluorophenyl)-4,5,6,7-tetrahydro-2H-indazol-2-yl]-N-(tetrahydro-2-furanylmethyl)benzenecarboxamide 4-[3-(2-fluorophenyl)-4,5,6,7-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)	4.19	-0.64	-15.71	1	5	0	56	419.5	5	↓ MOL2 SDF SMILES Flexibase

1791449

Analogs

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Popular Name: N-[(3,4,5-trimethoxyphenyl)methyleneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide N-[(3,4,5-trimethoxyphenyl)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)	2.53	4.94	-16.91	2	8	0	98	358.398	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.53	-1.74	-17.3	2	8	0	97	358.398	6	↓ MOL2 SDF SMILES Flexibase

62667694

Analogs

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Popular Name: (5S)-N-methyl-5-phenyl-4,5,6,7-tetrahydro-2H-indazol-3-amine (5S)-N-methyl-5-phenyl-4,5,6,7-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)	3.02	6.76	-28.78	3	3	1	42	228.319	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.02	6.64	-6.87	2	3	0	41	227.311	2	↓ MOL2 SDF SMILES Flexibase

62667695

Analogs

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Popular Name: (5R)-N-methyl-5-phenyl-4,5,6,7-tetrahydro-2H-indazol-3-amine (5R)-N-methyl-5-phenyl-4,5,6,7-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)	3.02	6.76	-28.77	3	3	1	42	228.319	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.02	6.64	-6.86	2	3	0	41	227.311	2	↓ MOL2 SDF SMILES Flexibase

62667730

Analogs

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Popular Name: (7S)-7-tert-butyl-N-methyl-4,5,6,7-tetrahydro-2H-indazol-3-amine (7S)-7-tert-butyl-N-methyl-4,5,6…

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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)	2.97	5.45	-23.4	3	3	1	42	208.329	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.97	5.33	-5.62	2	3	0	41	207.321	2	↓ MOL2 SDF SMILES Flexibase

62667732

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-tert-butyl-N-methyl-4,5,6,7-tetrahydro-2H-indazol-3-amine (7R)-7-tert-butyl-N-methyl-4,5,6…

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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)	2.97	5.48	-23.46	3	3	1	42	208.329	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.97	5.37	-5.56	2	3	0	41	207.321	2	↓ MOL2 SDF SMILES Flexibase

62668002

Analogs

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Popular Name: (5S)-N-ethyl-5-phenyl-4,5,6,7-tetrahydro-2H-indazol-3-amine (5S)-N-ethyl-5-phenyl-4,5,6,7-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)	3.40	7.59	-28.53	3	3	1	42	242.346	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.40	7.47	-5.35	2	3	0	41	241.338	3	↓ MOL2 SDF SMILES Flexibase

62668003

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-ethyl-5-phenyl-4,5,6,7-tetrahydro-2H-indazol-3-amine (5R)-N-ethyl-5-phenyl-4,5,6,7-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)	3.40	7.59	-28.5	3	3	1	42	242.346	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.40	7.47	-5.37	2	3	0	41	241.338	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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