ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

8486623

Analogs

Draw Identity 99% 90% 80% 70%

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)	4.14	4.56	-8.41	0	4	0	44	324.302	4	↓ MOL2 SDF SMILES Flexibase

8486716

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-methoxypropyl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-benzamide N-(3-methoxypropyl)-4-[3-(triflu…

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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)	3.42	1.11	-11	1	5	0	56	381.398	7	↓ MOL2 SDF SMILES Flexibase

11802131

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(m-tolyl)-4,5,6,7-tetrahydroindazole-3-carboxylic 1-(m-tolyl)-4,5,6,7-tetrahydroin…

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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)	3.28	1.18	-64.62	0	4	-1	58	255.297	2	↓ MOL2 SDF SMILES Flexibase

11802133

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid 1-(4-methylphenyl)-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)	3.10	1.18	-63.79	0	4	-1	58	255.297	2	↓ MOL2 SDF SMILES Flexibase

11802135

Analogs

22141407
36666900
36984537

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic 1-(3-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	0.72	-64.17	0	4	-1	58	275.715	2	↓ MOL2 SDF SMILES Flexibase

11802138

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic 1-(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)	3.33	0.71	-60.11	0	4	-1	58	275.715	2	↓ MOL2 SDF SMILES Flexibase

11802140

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic 1-(3-methoxyphenyl)-4,5,6,7-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)	2.89	0.88	-67.78	0	5	-1	67	271.296	3	↓ MOL2 SDF SMILES Flexibase

11802142

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic 1-(4-methoxyphenyl)-4,5,6,7-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)	2.70	0.88	-62.54	0	5	-1	67	271.296	3	↓ MOL2 SDF SMILES Flexibase

11802144

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic 1-(3,4-dimethylphenyl)-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)	3.68	1.47	-63.89	0	4	-1	58	269.324	2	↓ MOL2 SDF SMILES Flexibase

11802146

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chloro-4-methyl-phenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic 1-(3-chloro-4-methyl-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)	3.91	1.03	-59.53	0	4	-1	58	289.742	2	↓ MOL2 SDF SMILES Flexibase

11802147

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic 1-(3,5-dimethylphenyl)-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)	3.90	1.51	-64.11	0	4	-1	58	269.324	2	↓ MOL2 SDF SMILES Flexibase

11802150

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid 1-(4-bromophenyl)-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)	3.46	0.1	-59.87	0	4	-1	58	320.166	2	↓ MOL2 SDF SMILES Flexibase

11802152

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-ethylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic 1-(4-ethylphenyl)-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)	3.56	1.34	-63.44	0	4	-1	58	269.324	3	↓ MOL2 SDF SMILES Flexibase

11802153

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic 1-(4-tert-butylphenyl)-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)	4.35	2.01	-62.92	0	4	-1	58	297.378	3	↓ MOL2 SDF SMILES Flexibase

11802155

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chloro-4-methoxy-phenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic 1-(3-chloro-4-methoxy-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)	3.52	0.78	-59.41	0	5	-1	67	305.741	3	↓ MOL2 SDF SMILES Flexibase

11802157

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-ethoxyphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic 1-(4-ethoxyphenyl)-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)	3.08	0.89	-62.18	0	5	-1	67	285.323	4	↓ MOL2 SDF SMILES Flexibase

11802159

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic 1-(3,4-dichlorophenyl)-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)	4.14	0.58	-56.38	0	4	-1	58	310.16	2	↓ MOL2 SDF SMILES Flexibase

11802178

Analogs

41027337
41027338
41027339
41027340

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-methyl-1-phenyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-5-methyl-1-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)	2.88	1.23	-64.46	0	4	-1	58	255.297	2	↓ MOL2 SDF SMILES Flexibase

11802179

Analogs

41027337
41027338
41027339
41027340

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-methyl-1-phenyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-5-methyl-1-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)	2.88	1.23	-64.73	0	4	-1	58	255.297	2	↓ MOL2 SDF SMILES Flexibase

11802180

Analogs

41027323
41027324

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-methyl-1-(m-tolyl)-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-5-methyl-1-(m-tolyl)-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)	3.51	1.55	-64.86	0	4	-1	58	269.324	2	↓ MOL2 SDF SMILES Flexibase

11802182

Analogs

41027323
41027324

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-methyl-1-(m-tolyl)-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-5-methyl-1-(m-tolyl)-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)	3.51	1.55	-65.16	0	4	-1	58	269.324	2	↓ MOL2 SDF SMILES Flexibase

11802183

Analogs

41027283
41027284

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-methyl-1-(p-tolyl)-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-5-methyl-1-(p-tolyl)-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)	3.32	1.55	-64.01	0	4	-1	58	269.324	2	↓ MOL2 SDF SMILES Flexibase

11802185

Analogs

41027283
41027284

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-methyl-1-(p-tolyl)-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-5-methyl-1-(p-tolyl)-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)	3.32	1.55	-64.3	0	4	-1	58	269.324	2	↓ MOL2 SDF SMILES Flexibase

11802187

Analogs

41027297
41027298
41027397
41027398

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-1-(3-chlorophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-1-(3-chlorophenyl)-5-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)	3.74	1.08	-64.38	0	4	-1	58	289.742	2	↓ MOL2 SDF SMILES Flexibase

11802190

Analogs

41027297
41027298
41027397
41027398

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-1-(3-chlorophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-1-(3-chlorophenyl)-5-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)	3.74	1.08	-59.74	0	4	-1	58	289.742	2	↓ MOL2 SDF SMILES Flexibase

11802191

Analogs

41027313
41027314

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-1-(4-chlorophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-1-(4-chlorophenyl)-5-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)	3.55	1.08	-60.37	0	4	-1	58	289.742	2	↓ MOL2 SDF SMILES Flexibase

11802194

Analogs

41027313
41027314

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-1-(4-chlorophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-1-(4-chlorophenyl)-5-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)	3.55	1.08	-60.62	0	4	-1	58	289.742	2	↓ MOL2 SDF SMILES Flexibase

11802195

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-1-(3-methoxyphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-1-(3-methoxyphenyl)-5-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)	3.12	1.25	-68.49	0	5	-1	67	285.323	3	↓ MOL2 SDF SMILES Flexibase

11802198

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-1-(3-methoxyphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-1-(3-methoxyphenyl)-5-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)	3.12	1.25	-68	0	5	-1	67	285.323	3	↓ MOL2 SDF SMILES Flexibase

11802199

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-1-(4-methoxyphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-1-(4-methoxyphenyl)-5-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)	2.93	1.24	-64.13	0	5	-1	67	285.323	3	↓ MOL2 SDF SMILES Flexibase

11802201

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-1-(4-methoxyphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-1-(4-methoxyphenyl)-5-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)	2.93	1.24	-62.79	0	5	-1	67	285.323	3	↓ MOL2 SDF SMILES Flexibase

11802203

Analogs

41027323
41027324

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-1-(3,4-dimethylphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-1-(3,4-dimethylphenyl)-5-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)	3.91	1.84	-64.07	0	4	-1	58	283.351	2	↓ MOL2 SDF SMILES Flexibase

11802205

Analogs

41027323
41027324

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-1-(3,4-dimethylphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-1-(3,4-dimethylphenyl)-5-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)	3.91	1.84	-65.12	0	4	-1	58	283.351	2	↓ MOL2 SDF SMILES Flexibase

11802206

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-1-(3-chloro-4-methyl-phenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-1-(3-chloro-4-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)	4.14	1.4	-59.66	0	4	-1	58	303.769	2	↓ MOL2 SDF SMILES Flexibase

11802207

Analogs

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Popular Name: (5S)-1-(3-chloro-4-methyl-phenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-1-(3-chloro-4-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)	4.14	1.39	-64.76	0	4	-1	58	303.769	2	↓ MOL2 SDF SMILES Flexibase

11802208

Analogs

41027323
41027324

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Popular Name: (5R)-1-(3,5-dimethylphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-1-(3,5-dimethylphenyl)-5-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)	4.12	1.87	-64.31	0	4	-1	58	283.351	2	↓ MOL2 SDF SMILES Flexibase

11802210

Analogs

41027323
41027324

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-1-(3,5-dimethylphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-1-(3,5-dimethylphenyl)-5-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)	4.12	1.87	-64.61	0	4	-1	58	283.351	2	↓ MOL2 SDF SMILES Flexibase

11802212

Analogs

41027361
41027362

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-1-(4-bromophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-1-(4-bromophenyl)-5-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)	3.69	0.47	-60.09	0	4	-1	58	334.193	2	↓ MOL2 SDF SMILES Flexibase

11802214

Analogs

41027361
41027362

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-1-(4-bromophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-1-(4-bromophenyl)-5-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)	3.69	0.47	-60.32	0	4	-1	58	334.193	2	↓ MOL2 SDF SMILES Flexibase

11802215

Analogs

41027283
41027284

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Popular Name: (5S)-1-(4-ethylphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-1-(4-ethylphenyl)-5-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)	3.79	1.7	-63.96	0	4	-1	58	283.351	3	↓ MOL2 SDF SMILES Flexibase

11802217

Analogs

41027283
41027284

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-1-(4-ethylphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-1-(4-ethylphenyl)-5-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)	3.79	1.71	-63.65	0	4	-1	58	283.351	3	↓ MOL2 SDF SMILES Flexibase

11802219

Analogs

41027283
41027284

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-1-(4-tert-butylphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-1-(4-tert-butylphenyl)-5-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)	4.58	2.38	-63.16	0	4	-1	58	311.405	3	↓ MOL2 SDF SMILES Flexibase

11802221

Analogs

41027283
41027284

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-1-(4-tert-butylphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-1-(4-tert-butylphenyl)-5-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)	4.58	2.38	-63.26	0	4	-1	58	311.405	3	↓ MOL2 SDF SMILES Flexibase

11802223

Analogs

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Popular Name: (5S)-1-(3-chloro-4-methoxy-phenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-1-(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)	3.75	1.15	-65.44	0	5	-1	67	319.768	3	↓ MOL2 SDF SMILES Flexibase

11802225

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-1-(3-chloro-4-methoxy-phenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-1-(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)	3.75	1.15	-59.58	0	5	-1	67	319.768	3	↓ MOL2 SDF SMILES Flexibase

11802228

Analogs

41027311
41027312

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-1-(4-fluorophenyl)-5-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)	3.04	1.97	-60.52	0	4	-1	58	273.287	2	↓ MOL2 SDF SMILES Flexibase

11802230

Analogs

41027311
41027312

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-1-(4-fluorophenyl)-5-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)	3.04	1.96	-60.8	0	4	-1	58	273.287	2	↓ MOL2 SDF SMILES Flexibase

11802232

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-1-(4-ethoxyphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-1-(4-ethoxyphenyl)-5-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)	3.31	1.26	-63.74	0	5	-1	67	299.35	4	↓ MOL2 SDF SMILES Flexibase

11802234

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-1-(4-ethoxyphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-1-(4-ethoxyphenyl)-5-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)	3.31	1.26	-62.44	0	5	-1	67	299.35	4	↓ MOL2 SDF SMILES Flexibase

11802237

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-1-(3,4-dichlorophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-1-(3,4-dichlorophenyl)-5-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)	4.37	0.95	-56.5	0	4	-1	58	324.187	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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