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)	2.43	4.61	-4.95	2	3	0	41	179.267	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.43	4.52	-5.21	2	3	0	41	179.267	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.43	4.76	-25.73	3	3	1	42	180.275	2	↓ MOL2 SDF SMILES Flexibase

69466521

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,5R)-2-isopropyl-5-methyl-1-(2-methylpyrazol-3-yl)cyclohexanol (1S,2R,5R)-2-isopropyl-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	4.44	-3.99	1	3	0	38	236.359	2	↓ MOL2 SDF SMILES Flexibase

69466523

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,5S)-2-isopropyl-5-methyl-1-(2-methylpyrazol-3-yl)cyclohexanol (1S,2R,5S)-2-isopropyl-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	4.69	-3.87	1	3	0	38	236.359	2	↓ MOL2 SDF SMILES Flexibase

69466526

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,5R)-2-isopropyl-5-methyl-1-(2-methylpyrazol-3-yl)cyclohexanol (1S,2S,5R)-2-isopropyl-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	5.12	-5.01	1	3	0	38	236.359	2	↓ MOL2 SDF SMILES Flexibase

69466527

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,5S)-2-isopropyl-5-methyl-1-(2-methylpyrazol-3-yl)cyclohexanol (1S,2S,5S)-2-isopropyl-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	5.32	-4.91	1	3	0	38	236.359	2	↓ MOL2 SDF SMILES Flexibase

69466531

Analogs

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Popular Name: 4-(1,1-dimethylpropyl)-1-(2-methylpyrazol-3-yl)cyclohexanol 4-(1,1-dimethylpropyl)-1-(2-meth…

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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)	3.37	4.7	-5.4	1	3	0	38	250.386	3	↓ MOL2 SDF SMILES Flexibase

69466532

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-1-(2-methylpyrazol-3-yl)cyclohexanol 4-tert-butyl-1-(2-methylpyrazol-…

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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	4.21	-5.43	1	3	0	38	236.359	2	↓ MOL2 SDF SMILES Flexibase

69466542

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-tert-butyl-1-(2-methylpyrazol-3-yl)cyclohexanol (1R,2S)-2-tert-butyl-1-(2-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)	3.51	4.93	-4.81	1	3	0	38	236.359	2	↓ MOL2 SDF SMILES Flexibase

69466545

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-tert-butyl-1-(2-methylpyrazol-3-yl)cyclohexanol (1R,2R)-2-tert-butyl-1-(2-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)	3.51	4.8	-4.43	1	3	0	38	236.359	2	↓ MOL2 SDF SMILES Flexibase

69466547

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-tert-butyl-1-(2-methylpyrazol-3-yl)cyclohexanol (1S,2S)-2-tert-butyl-1-(2-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)	3.51	4.9	-4.49	1	3	0	38	236.359	2	↓ MOL2 SDF SMILES Flexibase

69466548

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-tert-butyl-1-(2-methylpyrazol-3-yl)cyclohexanol (1S,2R)-2-tert-butyl-1-(2-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)	3.51	4.87	-4.47	1	3	0	38	236.359	2	↓ MOL2 SDF SMILES Flexibase

69468282

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,5R)-2-isopropyl-5-methyl-1-(2-propylpyrazol-3-yl)cyclohexanol (1S,2R,5R)-2-isopropyl-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)	4.57	5.82	-3.82	1	3	0	38	264.413	4	↓ MOL2 SDF SMILES Flexibase

69468284

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,5R)-2-isopropyl-5-methyl-1-(2-propylpyrazol-3-yl)cyclohexanol (1R,2R,5R)-2-isopropyl-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)	4.57	7.58	-4.25	1	3	0	38	264.413	4	↓ MOL2 SDF SMILES Flexibase

69468285

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,5S)-2-isopropyl-5-methyl-1-(2-propylpyrazol-3-yl)cyclohexanol (1S,2R,5S)-2-isopropyl-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)	4.57	6.07	-3.58	1	3	0	38	264.413	4	↓ MOL2 SDF SMILES Flexibase

69468286

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,5S)-2-isopropyl-5-methyl-1-(2-propylpyrazol-3-yl)cyclohexanol (1R,2R,5S)-2-isopropyl-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)	4.57	7.32	-4.5	1	3	0	38	264.413	4	↓ MOL2 SDF SMILES Flexibase

69468288

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,5R)-1-(2-ethylpyrazol-3-yl)-2-isopropyl-5-methyl-cyclohexanol (1S,2R,5R)-1-(2-ethylpyrazol-3-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)	4.06	5.09	-3.97	1	3	0	38	250.386	3	↓ MOL2 SDF SMILES Flexibase

69468289

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,5R)-1-(2-ethylpyrazol-3-yl)-2-isopropyl-5-methyl-cyclohexanol (1R,2R,5R)-1-(2-ethylpyrazol-3-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)	4.06	6.85	-4.64	1	3	0	38	250.386	3	↓ MOL2 SDF SMILES Flexibase

69468291

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,5S)-1-(2-ethylpyrazol-3-yl)-2-isopropyl-5-methyl-cyclohexanol (1S,2R,5S)-1-(2-ethylpyrazol-3-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)	4.06	5.33	-3.69	1	3	0	38	250.386	3	↓ MOL2 SDF SMILES Flexibase

69468293

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,5S)-1-(2-ethylpyrazol-3-yl)-2-isopropyl-5-methyl-cyclohexanol (1R,2R,5S)-1-(2-ethylpyrazol-3-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)	4.06	6.59	-4.66	1	3	0	38	250.386	3	↓ MOL2 SDF SMILES Flexibase

69468298

Analogs

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Popular Name: 4-propyl-1-(2-propylpyrazol-3-yl)cyclohexanol 4-propyl-1-(2-propylpyrazol-3-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.83	6.42	-4.14	1	3	0	38	250.386	5	↓ MOL2 SDF SMILES Flexibase

69468299

Analogs

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Popular Name: 1-(2-ethylpyrazol-3-yl)-4-propyl-cyclohexanol 1-(2-ethylpyrazol-3-yl)-4-propyl…

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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	5.65	-4.26	1	3	0	38	236.359	4	↓ MOL2 SDF SMILES Flexibase

69468302

Analogs

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Popular Name: (1S,5R)-3,3,5-trimethyl-1-(2-propylpyrazol-3-yl)cyclohexanol (1S,5R)-3,3,5-trimethyl-1-(2-pro…

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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)	3.48	6.79	-5.02	1	3	0	38	250.386	3	↓ MOL2 SDF SMILES Flexibase

69468303

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R)-3,3,5-trimethyl-1-(2-propylpyrazol-3-yl)cyclohexanol (1R,5R)-3,3,5-trimethyl-1-(2-pro…

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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)	3.48	6.25	-3.87	1	3	0	38	250.386	3	↓ MOL2 SDF SMILES Flexibase

69468306

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5S)-3,3,5-trimethyl-1-(2-propylpyrazol-3-yl)cyclohexanol (1S,5S)-3,3,5-trimethyl-1-(2-pro…

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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)	3.48	6.36	-4.58	1	3	0	38	250.386	3	↓ MOL2 SDF SMILES Flexibase

69468307

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-3,3,5-trimethyl-1-(2-propylpyrazol-3-yl)cyclohexanol (1R,5S)-3,3,5-trimethyl-1-(2-pro…

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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)	3.48	6.36	-3.88	1	3	0	38	250.386	3	↓ MOL2 SDF SMILES Flexibase

69468310

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5R)-1-(2-ethylpyrazol-3-yl)-3,3,5-trimethyl-cyclohexanol (1S,5R)-1-(2-ethylpyrazol-3-yl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.98	5.43	-4.23	1	3	0	38	236.359	2	↓ MOL2 SDF SMILES Flexibase

69468311

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R)-1-(2-ethylpyrazol-3-yl)-3,3,5-trimethyl-cyclohexanol (1R,5R)-1-(2-ethylpyrazol-3-yl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.98	5.38	-4.24	1	3	0	38	236.359	2	↓ MOL2 SDF SMILES Flexibase

69468314

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5S)-1-(2-ethylpyrazol-3-yl)-3,3,5-trimethyl-cyclohexanol (1S,5S)-1-(2-ethylpyrazol-3-yl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.98	5.62	-4.71	1	3	0	38	236.359	2	↓ MOL2 SDF SMILES Flexibase

69468315

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-1-(2-ethylpyrazol-3-yl)-3,3,5-trimethyl-cyclohexanol (1R,5S)-1-(2-ethylpyrazol-3-yl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.98	5.62	-4.02	1	3	0	38	236.359	2	↓ MOL2 SDF SMILES Flexibase

69468317

Analogs

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Popular Name: 4-(1,1-dimethylpropyl)-1-(2-propylpyrazol-3-yl)cyclohexanol 4-(1,1-dimethylpropyl)-1-(2-prop…

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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)	4.25	6.94	-3.91	1	3	0	38	278.44	5	↓ MOL2 SDF SMILES Flexibase

69468320

Analogs

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Popular Name: 4-(1,1-dimethylpropyl)-1-(2-ethylpyrazol-3-yl)cyclohexanol 4-(1,1-dimethylpropyl)-1-(2-ethy…

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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	6.37	-5.43	1	3	0	38	264.413	4	↓ MOL2 SDF SMILES Flexibase

69468322

Analogs

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Popular Name: 4-ethyl-1-(2-propylpyrazol-3-yl)cyclohexanol 4-ethyl-1-(2-propylpyrazol-3-yl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.27	5.51	-4.38	1	3	0	38	236.359	4	↓ MOL2 SDF SMILES Flexibase

69468323

Analogs

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Popular Name: 4-tert-butyl-1-(2-propylpyrazol-3-yl)cyclohexanol 4-tert-butyl-1-(2-propylpyrazol-…

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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)	3.92	5.92	-5.08	1	3	0	38	264.413	4	↓ MOL2 SDF SMILES Flexibase

69468325

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-1-(2-ethylpyrazol-3-yl)cyclohexanol 4-tert-butyl-1-(2-ethylpyrazol-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)	3.41	5.17	-5.35	1	3	0	38	250.386	3	↓ MOL2 SDF SMILES Flexibase

69468343

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-tert-butyl-1-(2-propylpyrazol-3-yl)cyclohexanol (1S,2R)-2-tert-butyl-1-(2-propyl…

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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)	4.39	6.19	-4.83	1	3	0	38	264.413	4	↓ MOL2 SDF SMILES Flexibase

69468345

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-tert-butyl-1-(2-propylpyrazol-3-yl)cyclohexanol (1R,2R)-2-tert-butyl-1-(2-propyl…

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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)	4.39	7.25	-3.98	1	3	0	38	264.413	4	↓ MOL2 SDF SMILES Flexibase

69468346

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-tert-butyl-1-(2-propylpyrazol-3-yl)cyclohexanol (1S,2S)-2-tert-butyl-1-(2-propyl…

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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)	4.39	6.3	-4.08	1	3	0	38	264.413	4	↓ MOL2 SDF SMILES Flexibase

69468348

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-tert-butyl-1-(2-propylpyrazol-3-yl)cyclohexanol (1R,2S)-2-tert-butyl-1-(2-propyl…

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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)	4.39	6.65	-3.81	1	3	0	38	264.413	4	↓ MOL2 SDF SMILES Flexibase

69468349

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-tert-butyl-1-(2-ethylpyrazol-3-yl)cyclohexanol (1S,2R)-2-tert-butyl-1-(2-ethylp…

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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	5.47	-4.91	1	3	0	38	250.386	3	↓ MOL2 SDF SMILES Flexibase

69468351

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-tert-butyl-1-(2-ethylpyrazol-3-yl)cyclohexanol (1R,2R)-2-tert-butyl-1-(2-ethylp…

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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	6.52	-4.27	1	3	0	38	250.386	3	↓ MOL2 SDF SMILES Flexibase

69468352

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-tert-butyl-1-(2-ethylpyrazol-3-yl)cyclohexanol (1S,2S)-2-tert-butyl-1-(2-ethylp…

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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	5.63	-4.26	1	3	0	38	250.386	3	↓ MOL2 SDF SMILES Flexibase

69468353

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-tert-butyl-1-(2-ethylpyrazol-3-yl)cyclohexanol (1R,2S)-2-tert-butyl-1-(2-ethylp…

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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	5.91	-4.17	1	3	0	38	250.386	3	↓ MOL2 SDF SMILES Flexibase

69468617

Analogs

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Popular Name: 4-isopropyl-1-(2-propylpyrazol-3-yl)cyclohexanol 4-isopropyl-1-(2-propylpyrazol-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.09	5.98	-4.33	1	3	0	38	250.386	4	↓ MOL2 SDF SMILES Flexibase

69468620

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-ethylpyrazol-3-yl)-4-isopropyl-cyclohexanol 1-(2-ethylpyrazol-3-yl)-4-isopro…

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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)	3.59	5.21	-4.43	1	3	0	38	236.359	3	↓ MOL2 SDF SMILES Flexibase

69472897

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-ethyl-2-(2-propylpyrazol-3-yl)cyclohexanamine (1S,2R)-N-ethyl-2-(2-propylpyraz…

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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	7.41	-36.42	2	3	1	34	236.383	5	↓ MOL2 SDF SMILES Flexibase

69472898

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-ethyl-2-(2-propylpyrazol-3-yl)cyclohexanamine (1S,2S)-N-ethyl-2-(2-propylpyraz…

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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	7.13	-38.32	2	3	1	34	236.383	5	↓ MOL2 SDF SMILES Flexibase

69472901

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-ethyl-2-(2-propylpyrazol-3-yl)cyclohexanamine (1R,2R)-N-ethyl-2-(2-propylpyraz…

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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	7.26	-38.09	2	3	1	34	236.383	5	↓ MOL2 SDF SMILES Flexibase

69472902

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-ethyl-2-(2-propylpyrazol-3-yl)cyclohexanamine (1R,2S)-N-ethyl-2-(2-propylpyraz…

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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	7.55	-36.84	2	3	1	34	236.383	5	↓ MOL2 SDF SMILES Flexibase

69472906

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(2-ethylpyrazol-3-yl)-N-propyl-cyclohexanamine (1R,2S)-2-(2-ethylpyrazol-3-yl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.04	7.41	-37.02	2	3	1	34	236.383	5	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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