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ZINC Item

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69989092

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[(1-isopropylpyrazol-3-yl)methyl]-N-methyl-indan-1-amine (1R,2S)-2-[(1-isopropylpyrazol-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)	3.27	9.02	-42.27	2	3	1	34	270.4	4	↓ MOL2 SDF SMILES Flexibase

69989093

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[(1-isopropylpyrazol-3-yl)methyl]-N-methyl-indan-1-amine (1R,2R)-2-[(1-isopropylpyrazol-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)	3.27	8.89	-41.31	2	3	1	34	270.4	4	↓ MOL2 SDF SMILES Flexibase

69989095

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(1-isopropylpyrazol-3-yl)methyl]-N-methyl-indan-1-amine (1S,2S)-2-[(1-isopropylpyrazol-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)	3.27	8.63	-39.03	2	3	1	34	270.4	4	↓ MOL2 SDF SMILES Flexibase

69989096

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(1-isopropylpyrazol-3-yl)methyl]-N-methyl-indan-1-amine (1S,2R)-2-[(1-isopropylpyrazol-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)	3.27	9.01	-43.36	2	3	1	34	270.4	4	↓ MOL2 SDF SMILES Flexibase

69989098

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-ethyl-2-[(1-isopropylpyrazol-3-yl)methyl]indan-1-amine (1S,2R)-N-ethyl-2-[(1-isopropylp…

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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)	3.65	9.93	-40.48	2	3	1	34	284.427	5	↓ MOL2 SDF SMILES Flexibase

69989099

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-ethyl-2-[(1-isopropylpyrazol-3-yl)methyl]indan-1-amine (1R,2R)-N-ethyl-2-[(1-isopropylp…

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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)	3.65	9.7	-39.66	2	3	1	34	284.427	5	↓ MOL2 SDF SMILES Flexibase

69989101

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-ethyl-2-[(1-isopropylpyrazol-3-yl)methyl]indan-1-amine (1S,2S)-N-ethyl-2-[(1-isopropylp…

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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)	3.65	9.48	-37.22	2	3	1	34	284.427	5	↓ MOL2 SDF SMILES Flexibase

69989102

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-ethyl-2-[(1-isopropylpyrazol-3-yl)methyl]indan-1-amine (1R,2S)-N-ethyl-2-[(1-isopropylp…

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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)	3.65	9.6	-38.26	2	3	1	34	284.427	5	↓ MOL2 SDF SMILES Flexibase

69996536

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]indan-1-amine (1R,2S)-2-[[1-(1-ethylpropyl)pyr…

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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	8.8	-47.22	3	3	1	45	284.427	5	↓ MOL2 SDF SMILES Flexibase

69996537

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]indan-1-amine (1R,2R)-2-[[1-(1-ethylpropyl)pyr…

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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	8.82	-46.01	3	3	1	45	284.427	5	↓ MOL2 SDF SMILES Flexibase

69996539

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]indan-1-amine (1S,2S)-2-[[1-(1-ethylpropyl)pyr…

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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	8.6	-46.14	3	3	1	45	284.427	5	↓ MOL2 SDF SMILES Flexibase

69996540

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]indan-1-amine (1S,2R)-2-[[1-(1-ethylpropyl)pyr…

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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	8.93	-47.04	3	3	1	45	284.427	5	↓ MOL2 SDF SMILES Flexibase

69996548

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]indan-1-amine (1R,2S)-2-[[1-[(1R)-1-methylprop…

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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)	1.52	7.85	-48.2	3	3	1	45	270.4	4	↓ MOL2 SDF SMILES Flexibase

69996549

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]indan-1-amine (1R,2S)-2-[[1-[(1S)-1-methylprop…

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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)	1.52	7.83	-48.23	3	3	1	45	270.4	4	↓ MOL2 SDF SMILES Flexibase

69996550

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]indan-1-amine (1R,2R)-2-[[1-[(1R)-1-methylprop…

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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)	1.52	7.86	-46.73	3	3	1	45	270.4	4	↓ MOL2 SDF SMILES Flexibase

69996551

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]indan-1-amine (1R,2R)-2-[[1-[(1S)-1-methylprop…

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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)	1.52	7.84	-46.96	3	3	1	45	270.4	4	↓ MOL2 SDF SMILES Flexibase

69996553

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-methyl-2-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]indan-1-amine (1R,2S)-N-methyl-2-[[1-[(1R)-1-m…

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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)	3.78	9.64	-42.11	2	3	1	34	284.427	5	↓ MOL2 SDF SMILES Flexibase

69996556

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-methyl-2-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]indan-1-amine (1R,2S)-N-methyl-2-[[1-[(1S)-1-m…

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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)	3.78	9.63	-42.07	2	3	1	34	284.427	5	↓ MOL2 SDF SMILES Flexibase

69996557

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-methyl-2-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]indan-1-amine (1R,2R)-N-methyl-2-[[1-[(1R)-1-m…

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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)	3.78	9.51	-41.14	2	3	1	34	284.427	5	↓ MOL2 SDF SMILES Flexibase

69996558

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-methyl-2-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]indan-1-amine (1R,2R)-N-methyl-2-[[1-[(1S)-1-m…

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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)	3.78	9.5	-41.28	2	3	1	34	284.427	5	↓ MOL2 SDF SMILES Flexibase

69997522

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]indan-2-ol 2-[[1-[(1R)-1-methylpropyl]pyraz…

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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	7.61	-7.42	1	3	0	38	270.376	4	↓ MOL2 SDF SMILES Flexibase

69997523

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]indan-2-ol 2-[[1-[(1S)-1-methylpropyl]pyraz…

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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	7.59	-7.39	1	3	0	38	270.376	4	↓ MOL2 SDF SMILES Flexibase

69997525

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]indan-2-ol 2-[[1-(1-ethylpropyl)pyrazol-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)	3.77	8.57	-7	1	3	0	38	284.403	5	↓ MOL2 SDF SMILES Flexibase

69999006

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]indan-2-amine 2-[[1-[(1R)-1-methylpropyl]pyraz…

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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	8.05	-34.62	3	3	1	45	270.4	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.31	7.8	-6.13	2	3	0	44	269.392	4	↓ MOL2 SDF SMILES Flexibase

69999008

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]indan-2-amine 2-[[1-[(1S)-1-methylpropyl]pyraz…

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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	8.03	-34.75	3	3	1	45	270.4	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.31	7.78	-6.02	2	3	0	44	269.392	4	↓ MOL2 SDF SMILES Flexibase

69999010

Analogs

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Popular Name: 2-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]indan-2-amine 2-[[1-(1-ethylpropyl)pyrazol-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)	3.81	8.68	-41.26	3	3	1	45	284.427	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.81	8.45	-4.87	2	3	0	44	283.419	5	↓ MOL2 SDF SMILES Flexibase

70002562

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]indan-1-ol (1R,2S)-2-[[1-[(1R)-1-methylprop…

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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)	3.22	7.25	-7.32	1	3	0	38	270.376	4	↓ MOL2 SDF SMILES Flexibase

70002563

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]indan-1-ol (1R,2S)-2-[[1-[(1S)-1-methylprop…

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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)	3.22	7.23	-7.34	1	3	0	38	270.376	4	↓ MOL2 SDF SMILES Flexibase

70002564

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]indan-1-ol (1R,2R)-2-[[1-[(1R)-1-methylprop…

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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)	3.22	7.27	-8.2	1	3	0	38	270.376	4	↓ MOL2 SDF SMILES Flexibase

70002565

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]indan-1-ol (1R,2R)-2-[[1-[(1S)-1-methylprop…

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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)	3.22	7.25	-8.18	1	3	0	38	270.376	4	↓ MOL2 SDF SMILES Flexibase

70002566

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]indan-1-ol (1R,2S)-2-[[1-(1-ethylpropyl)pyr…

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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)	3.73	8.2	-6.91	1	3	0	38	284.403	5	↓ MOL2 SDF SMILES Flexibase

70002567

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]indan-1-ol (1R,2R)-2-[[1-(1-ethylpropyl)pyr…

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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)	3.73	8.23	-7.73	1	3	0	38	284.403	5	↓ MOL2 SDF SMILES Flexibase

70002568

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]indan-1-ol (1S,2S)-2-[[1-(1-ethylpropyl)pyr…

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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)	3.73	8.01	-8.57	1	3	0	38	284.403	5	↓ MOL2 SDF SMILES Flexibase

70002569

Analogs

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Popular Name: (1S,2R)-2-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]indan-1-ol (1S,2R)-2-[[1-(1-ethylpropyl)pyr…

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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)	3.73	8.33	-7.29	1	3	0	38	284.403	5	↓ MOL2 SDF SMILES Flexibase

70002646

Analogs

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Popular Name: 3-[[(1R,2S)-1-chloroindan-2-yl]methyl]-1-(1-ethylpropyl)pyrazole 3-[[(1R,2S)-1-chloroindan-2-yl]m…

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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	11.78	-5.31	0	2	0	18	302.849	5	↓ MOL2 SDF SMILES Flexibase

70002647

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R,2R)-1-chloroindan-2-yl]methyl]-1-(1-ethylpropyl)pyrazole 3-[[(1R,2R)-1-chloroindan-2-yl]m…

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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	12.1	-5.74	0	2	0	18	302.849	5	↓ MOL2 SDF SMILES Flexibase

70002648

Analogs

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Popular Name: 3-[[(1S,2S)-1-chloroindan-2-yl]methyl]-1-(1-ethylpropyl)pyrazole 3-[[(1S,2S)-1-chloroindan-2-yl]m…

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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	11.88	-6.45	0	2	0	18	302.849	5	↓ MOL2 SDF SMILES Flexibase

70002649

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S,2R)-1-chloroindan-2-yl]methyl]-1-(1-ethylpropyl)pyrazole 3-[[(1S,2R)-1-chloroindan-2-yl]m…

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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	11.91	-5.5	0	2	0	18	302.849	5	↓ MOL2 SDF SMILES Flexibase

70002650

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R,2S)-1-chloroindan-2-yl]methyl]-1-[(1R)-1-methylpropyl]pyrazole 3-[[(1R,2S)-1-chloroindan-2-yl]m…

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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)	4.60	10.84	-5.69	0	2	0	18	288.822	4	↓ MOL2 SDF SMILES Flexibase

70002651

Analogs

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Popular Name: 3-[[(1R,2S)-1-chloroindan-2-yl]methyl]-1-[(1S)-1-methylpropyl]pyrazole 3-[[(1R,2S)-1-chloroindan-2-yl]m…

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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)	4.60	10.82	-5.74	0	2	0	18	288.822	4	↓ MOL2 SDF SMILES Flexibase

70002652

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R,2R)-1-chloroindan-2-yl]methyl]-1-[(1R)-1-methylpropyl]pyrazole 3-[[(1R,2R)-1-chloroindan-2-yl]m…

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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)	4.60	11.14	-6.19	0	2	0	18	288.822	4	↓ MOL2 SDF SMILES Flexibase

70002653

Analogs

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Popular Name: 3-[[(1R,2R)-1-chloroindan-2-yl]methyl]-1-[(1S)-1-methylpropyl]pyrazole 3-[[(1R,2R)-1-chloroindan-2-yl]m…

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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)	4.60	11.12	-6.19	0	2	0	18	288.822	4	↓ MOL2 SDF SMILES Flexibase

70002742

Analogs

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Popular Name: 3-[[(1R,2S)-1-bromoindan-2-yl]methyl]-1-(1-ethylpropyl)pyrazole 3-[[(1R,2S)-1-bromoindan-2-yl]me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.23	11.85	-5.14	0	2	0	18	347.3	5	↓ MOL2 SDF SMILES Flexibase

70002743

Analogs

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Popular Name: 3-[[(1R,2R)-1-bromoindan-2-yl]methyl]-1-(1-ethylpropyl)pyrazole 3-[[(1R,2R)-1-bromoindan-2-yl]me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.23	12.2	-5.44	0	2	0	18	347.3	5	↓ MOL2 SDF SMILES Flexibase

70002744

Analogs

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Popular Name: 3-[[(1S,2S)-1-bromoindan-2-yl]methyl]-1-(1-ethylpropyl)pyrazole 3-[[(1S,2S)-1-bromoindan-2-yl]me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.23	11.99	-6.18	0	2	0	18	347.3	5	↓ MOL2 SDF SMILES Flexibase

70002745

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S,2R)-1-bromoindan-2-yl]methyl]-1-(1-ethylpropyl)pyrazole 3-[[(1S,2R)-1-bromoindan-2-yl]me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.23	11.98	-5.27	0	2	0	18	347.3	5	↓ MOL2 SDF SMILES Flexibase

70002746

Analogs

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Popular Name: 3-[[(1R,2S)-1-bromoindan-2-yl]methyl]-1-[(1R)-1-methylpropyl]pyrazole 3-[[(1R,2S)-1-bromoindan-2-yl]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)	4.73	10.9	-5.52	0	2	0	18	333.273	4	↓ MOL2 SDF SMILES Flexibase

70002747

Analogs

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Popular Name: 3-[[(1R,2S)-1-bromoindan-2-yl]methyl]-1-[(1S)-1-methylpropyl]pyrazole 3-[[(1R,2S)-1-bromoindan-2-yl]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)	4.73	10.89	-5.57	0	2	0	18	333.273	4	↓ MOL2 SDF SMILES Flexibase

70002748

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R,2R)-1-bromoindan-2-yl]methyl]-1-[(1R)-1-methylpropyl]pyrazole 3-[[(1R,2R)-1-bromoindan-2-yl]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)	4.73	11.24	-5.91	0	2	0	18	333.273	4	↓ MOL2 SDF SMILES Flexibase

70002749

Analogs

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Popular Name: 3-[[(1R,2R)-1-bromoindan-2-yl]methyl]-1-[(1S)-1-methylpropyl]pyrazole 3-[[(1R,2R)-1-bromoindan-2-yl]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)	4.73	11.22	-5.93	0	2	0	18	333.273	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 513111 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
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