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ZINC Item

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69989104

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[(1-isopropylpyrazol-3-yl)methyl]tetralin-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)	1.54	7.65	-48.22	3	3	1	45	270.4	3	↓ MOL2 SDF SMILES Flexibase

69989105

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[(1-isopropylpyrazol-3-yl)methyl]tetralin-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)	1.54	7.92	-49.18	3	3	1	45	270.4	3	↓ MOL2 SDF SMILES Flexibase

69989106

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(1-isopropylpyrazol-3-yl)methyl]tetralin-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)	1.54	7.62	-47.17	3	3	1	45	270.4	3	↓ MOL2 SDF SMILES Flexibase

69989108

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(1-isopropylpyrazol-3-yl)methyl]tetralin-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)	1.54	7.96	-46.6	3	3	1	45	270.4	3	↓ MOL2 SDF SMILES Flexibase

69989109

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[(1-isopropylpyrazol-3-yl)methyl]-N-methyl-tetralin-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)	3.79	9.22	-42.39	2	3	1	34	284.427	4	↓ MOL2 SDF SMILES Flexibase

69989111

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[(1-isopropylpyrazol-3-yl)methyl]-N-methyl-tetralin-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)	3.79	9.4	-43.52	2	3	1	34	284.427	4	↓ MOL2 SDF SMILES Flexibase

69989112

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(1-isopropylpyrazol-3-yl)methyl]-N-methyl-tetralin-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)	3.79	9.1	-41.71	2	3	1	34	284.427	4	↓ MOL2 SDF SMILES Flexibase

69989114

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(1-isopropylpyrazol-3-yl)methyl]-N-methyl-tetralin-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)	3.79	9.53	-40.98	2	3	1	34	284.427	4	↓ MOL2 SDF SMILES Flexibase

69989378

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(1-isopropylpyrazol-3-yl)methyl]tetralin-2-ol (2S)-2-[(1-isopropylpyrazol-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)	3.28	7.43	-6.06	1	3	0	38	270.376	3	↓ MOL2 SDF SMILES Flexibase

69989380

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(1-isopropylpyrazol-3-yl)methyl]tetralin-2-ol (2R)-2-[(1-isopropylpyrazol-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)	3.28	7.59	-6.87	1	3	0	38	270.376	3	↓ MOL2 SDF SMILES Flexibase

69989399

Analogs

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Popular Name: (2S)-6-bromo-2-[(1-isopropylpyrazol-3-yl)methyl]tetralin-2-ol (2S)-6-bromo-2-[(1-isopropylpyra…

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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)	4.07	8.05	-5.37	1	3	0	38	349.272	3	↓ MOL2 SDF SMILES Flexibase

69989400

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-bromo-2-[(1-isopropylpyrazol-3-yl)methyl]tetralin-2-ol (2R)-6-bromo-2-[(1-isopropylpyra…

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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)	4.07	8.22	-6.43	1	3	0	38	349.272	3	↓ MOL2 SDF SMILES Flexibase

69989578

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(1-isopropylpyrazol-3-yl)methyl]tetralin-2-amine (2S)-2-[(1-isopropylpyrazol-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)	3.33	7.49	-41.93	3	3	1	45	270.4	3	↓ MOL2 SDF SMILES Flexibase

69989580

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(1-isopropylpyrazol-3-yl)methyl]tetralin-2-amine (2R)-2-[(1-isopropylpyrazol-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)	3.33	7.63	-37.69	3	3	1	45	270.4	3	↓ MOL2 SDF SMILES Flexibase

69990455

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[(1-isopropylpyrazol-3-yl)methyl]tetralin-1-ol (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)	3.24	7.11	-7.11	1	3	0	38	270.376	3	↓ MOL2 SDF SMILES Flexibase

69990456

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[(1-isopropylpyrazol-3-yl)methyl]tetralin-1-ol (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)	3.24	7.5	-7.3	1	3	0	38	270.376	3	↓ MOL2 SDF SMILES Flexibase

69990457

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(1-isopropylpyrazol-3-yl)methyl]tetralin-1-ol (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)	3.24	7.19	-8.73	1	3	0	38	270.376	3	↓ MOL2 SDF SMILES Flexibase

69990459

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(1-isopropylpyrazol-3-yl)methyl]tetralin-1-ol (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)	3.24	7.42	-7.46	1	3	0	38	270.376	3	↓ MOL2 SDF SMILES Flexibase

69990471

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R,2S)-1-chlorotetralin-2-yl]methyl]-1-isopropyl-pyrazole 3-[[(1R,2S)-1-chlorotetralin-2-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)	4.61	10.93	-6.77	0	2	0	18	288.822	3	↓ MOL2 SDF SMILES Flexibase

69990473

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R,2R)-1-chlorotetralin-2-yl]methyl]-1-isopropyl-pyrazole 3-[[(1R,2R)-1-chlorotetralin-2-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)	4.61	10.54	-6.74	0	2	0	18	288.822	3	↓ MOL2 SDF SMILES Flexibase

69990475

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S,2S)-1-chlorotetralin-2-yl]methyl]-1-isopropyl-pyrazole 3-[[(1S,2S)-1-chlorotetralin-2-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)	4.61	10.68	-6.78	0	2	0	18	288.822	3	↓ MOL2 SDF SMILES Flexibase

69990476

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S,2R)-1-chlorotetralin-2-yl]methyl]-1-isopropyl-pyrazole 3-[[(1S,2R)-1-chlorotetralin-2-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)	4.61	10.66	-6.03	0	2	0	18	288.822	3	↓ MOL2 SDF SMILES Flexibase

69990496

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R,2S)-1-bromotetralin-2-yl]methyl]-1-isopropyl-pyrazole 3-[[(1R,2S)-1-bromotetralin-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)	4.74	11.01	-6.41	0	2	0	18	333.273	3	↓ MOL2 SDF SMILES Flexibase

69990497

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R,2R)-1-bromotetralin-2-yl]methyl]-1-isopropyl-pyrazole 3-[[(1R,2R)-1-bromotetralin-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)	4.74	10.62	-6.17	0	2	0	18	333.273	3	↓ MOL2 SDF SMILES Flexibase

69990499

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S,2S)-1-bromotetralin-2-yl]methyl]-1-isopropyl-pyrazole 3-[[(1S,2S)-1-bromotetralin-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)	4.74	10.76	-6.52	0	2	0	18	333.273	3	↓ MOL2 SDF SMILES Flexibase

69990500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S,2R)-1-bromotetralin-2-yl]methyl]-1-isopropyl-pyrazole 3-[[(1S,2R)-1-bromotetralin-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)	4.74	10.75	-5.78	0	2	0	18	333.273	3	↓ MOL2 SDF SMILES Flexibase

69996559

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]tetralin-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)	2.04	8.28	-48.05	3	3	1	45	284.427	4	↓ MOL2 SDF SMILES Flexibase

69996560

Analogs

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Popular Name: (1R,2S)-2-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]tetralin-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)	2.04	8.26	-48.08	3	3	1	45	284.427	4	↓ MOL2 SDF SMILES Flexibase

69996562

Analogs

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Popular Name: (1R,2R)-2-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]tetralin-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)	2.04	8.55	-49.03	3	3	1	45	284.427	4	↓ MOL2 SDF SMILES Flexibase

69996564

Analogs

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Popular Name: (1R,2R)-2-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]tetralin-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)	2.04	8.53	-49.1	3	3	1	45	284.427	4	↓ MOL2 SDF SMILES Flexibase

69997721

Analogs

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

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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	8.06	-5.87	1	3	0	38	284.403	4	↓ MOL2 SDF SMILES Flexibase

69997722

Analogs

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

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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	8.04	-5.89	1	3	0	38	284.403	4	↓ MOL2 SDF SMILES Flexibase

69997725

Analogs

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

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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	8.22	-6.73	1	3	0	38	284.403	4	↓ MOL2 SDF SMILES Flexibase

69997726

Analogs

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

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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	8.2	-6.82	1	3	0	38	284.403	4	↓ MOL2 SDF SMILES Flexibase

69999220

Analogs

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

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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	8.12	-41.89	3	3	1	45	284.427	4	↓ MOL2 SDF SMILES Flexibase

69999222

Analogs

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

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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	8.1	-42.15	3	3	1	45	284.427	4	↓ MOL2 SDF SMILES Flexibase

69999224

Analogs

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

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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	8.27	-37.56	3	3	1	45	284.427	4	↓ MOL2 SDF SMILES Flexibase

69999226

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	8.24	-37.63	3	3	1	45	284.427	4	↓ MOL2 SDF SMILES Flexibase

70002570

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]tetralin-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)	3.74	7.74	-7.01	1	3	0	38	284.403	4	↓ MOL2 SDF SMILES Flexibase

70002571

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]tetralin-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)	3.74	7.72	-7.01	1	3	0	38	284.403	4	↓ MOL2 SDF SMILES Flexibase

70002572

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]tetralin-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)	3.74	8.12	-7.14	1	3	0	38	284.403	4	↓ MOL2 SDF SMILES Flexibase

70002573

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]tetralin-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)	3.74	8.1	-7.15	1	3	0	38	284.403	4	↓ MOL2 SDF SMILES Flexibase

70002658

Analogs

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Popular Name: 3-[[(1R,2S)-1-chlorotetralin-2-yl]methyl]-1-[(1R)-1-methylpropyl]pyrazole 3-[[(1R,2S)-1-chlorotetralin-2-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)	5.12	11.56	-6.68	0	2	0	18	302.849	4	↓ MOL2 SDF SMILES Flexibase

70002659

Analogs

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Popular Name: 3-[[(1R,2S)-1-chlorotetralin-2-yl]methyl]-1-[(1S)-1-methylpropyl]pyrazole 3-[[(1R,2S)-1-chlorotetralin-2-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)	5.12	11.54	-6.71	0	2	0	18	302.849	4	↓ MOL2 SDF SMILES Flexibase

70002660

Analogs

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Popular Name: 3-[[(1R,2R)-1-chlorotetralin-2-yl]methyl]-1-[(1R)-1-methylpropyl]pyrazole 3-[[(1R,2R)-1-chlorotetralin-2-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)	5.12	11.17	-6.75	0	2	0	18	302.849	4	↓ MOL2 SDF SMILES Flexibase

70002661

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R,2R)-1-chlorotetralin-2-yl]methyl]-1-[(1S)-1-methylpropyl]pyrazole 3-[[(1R,2R)-1-chlorotetralin-2-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)	5.12	11.15	-6.64	0	2	0	18	302.849	4	↓ MOL2 SDF SMILES Flexibase

70002754

Analogs

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Popular Name: 3-[[(1R,2S)-1-bromotetralin-2-yl]methyl]-1-[(1R)-1-methylpropyl]pyrazole 3-[[(1R,2S)-1-bromotetralin-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)	5.25	11.64	-6.25	0	2	0	18	347.3	4	↓ MOL2 SDF SMILES Flexibase

70002755

Analogs

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Popular Name: 3-[[(1R,2S)-1-bromotetralin-2-yl]methyl]-1-[(1S)-1-methylpropyl]pyrazole 3-[[(1R,2S)-1-bromotetralin-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)	5.25	11.62	-6.31	0	2	0	18	347.3	4	↓ MOL2 SDF SMILES Flexibase

70002756

Analogs

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Popular Name: 3-[[(1R,2R)-1-bromotetralin-2-yl]methyl]-1-[(1R)-1-methylpropyl]pyrazole 3-[[(1R,2R)-1-bromotetralin-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)	5.25	11.25	-6.15	0	2	0	18	347.3	4	↓ MOL2 SDF SMILES Flexibase

70002757

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R,2R)-1-bromotetralin-2-yl]methyl]-1-[(1S)-1-methylpropyl]pyrazole 3-[[(1R,2R)-1-bromotetralin-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)	5.25	11.25	-6.08	0	2	0	18	347.3	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

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 = 513117 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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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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