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ZINC Item

Suppliers, Protomers, & Similar Substances

71499271

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-5-methyl-N-[(3-methyl-2-thienyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-ca N-cyclopropyl-5-methyl-N-[(3-met…

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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)	2.05	8.78	-37.27	2	5	1	53	331.465	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.05	6.41	-6.41	1	5	0	52	330.457	4	↓ MOL2 SDF SMILES Flexibase

71524120

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamid N-(2,1,3-benzothiadiazol-5-ylmet…

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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)	1.23	3.48	-42.46	3	7	1	88	329.409	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.23	1.1	-11.35	2	7	0	87	328.401	3	↓ MOL2 SDF SMILES Flexibase

71575254

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimi 4-(3-cyclobutyl-1,4,6,7-tetrahyd…

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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)	0.90	6.8	-52.24	5	7	1	100	326.428	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.90	7.29	-115.87	6	7	2	102	327.436	2	↓ MOL2 SDF SMILES Flexibase

23367122

Analogs

12316867

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-fluoro-2-methoxy-phenyl)methyl]-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine 5-[(4-fluoro-2-methoxy-phenyl)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)	3.55	7.46	-9.35	1	4	0	41	337.398	4	↓ MOL2 SDF SMILES Flexibase

23367719

Analogs

23367723

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(4-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]-2-[(2S)-1-methyl-2-piperidyl]e 1-[3-(4-methoxyphenyl)-1,4,6,7-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)	3.80	8.6	-49	2	6	1	63	369.489	4	↓ MOL2 SDF SMILES Flexibase

23367723

Analogs

23367719

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(4-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]-2-[(2R)-1-methyl-2-piperidyl]e 1-[3-(4-methoxyphenyl)-1,4,6,7-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)	3.80	8.61	-49.13	2	6	1	63	369.489	4	↓ MOL2 SDF SMILES Flexibase

23369475

Analogs

20910591
19795160

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-methoxyphenyl)-5-[(5-methyl-2H-pyrazol-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine 3-(3-methoxyphenyl)-5-[(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)	2.28	6.44	-41.2	3	6	1	71	324.408	4	↓ MOL2 SDF SMILES Flexibase

23369552

Analogs

12317810

Draw Identity 99% 90% 80% 70%

Popular Name: 5-benzyl-3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine 5-benzyl-3-(3-fluorophenyl)-1,4,…

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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)	3.54	7.64	-8.47	1	3	0	32	307.372	3	↓ MOL2 SDF SMILES Flexibase

66323472

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5,6,7-Tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbohydrazide dihydrochloride 4,5,6,7-Tetrahydro-1H-pyrazolo[4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.29	-2.11	-43.53	6	6	1	100	182.207	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.29	-3.48	-9.4	5	6	0	96	181.199	1	↓ MOL2 SDF SMILES Flexibase

69659530

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-ethyl-1-piperidyl]-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]et 1-[(2R)-2-ethyl-1-piperidyl]-2-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.59	7.68	-42.7	2	5	1	53	345.389	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.59	5.55	-7.78	1	5	0	52	344.381	4	↓ MOL2 SDF SMILES Flexibase

69659532

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-ethyl-1-piperidyl]-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]et 1-[(2S)-2-ethyl-1-piperidyl]-2-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.59	7.7	-42.55	2	5	1	53	345.389	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.59	5.57	-7.58	1	5	0	52	344.381	4	↓ MOL2 SDF SMILES Flexibase

69663887

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(4-methyl-1-piperidyl)-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]p (2R)-1-(4-methyl-1-piperidyl)-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.29	7.4	-42.34	2	5	1	53	345.389	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.29	5	-7.94	1	5	0	52	344.381	3	↓ MOL2 SDF SMILES Flexibase

69663890

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-methyl-1-piperidyl)-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]p (2S)-1-(4-methyl-1-piperidyl)-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.29	7.44	-39.26	2	5	1	53	345.389	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.29	5.34	-8.96	1	5	0	52	344.381	3	↓ MOL2 SDF SMILES Flexibase

69737701

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclohexyl-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide (2S)-N-cyclohexyl-2-[3-(trifluor…

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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)	2.81	6.44	-39.75	3	5	1	62	345.389	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.81	4.32	-11.13	2	5	0	61	344.381	4	↓ MOL2 SDF SMILES Flexibase

69737702

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclohexyl-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide (2R)-N-cyclohexyl-2-[3-(trifluor…

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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)	2.81	6.64	-42	3	5	1	62	345.389	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.81	4.29	-8.25	2	5	0	61	344.381	4	↓ MOL2 SDF SMILES Flexibase

40448498

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-Boc-2-methyl-6,7-dihydro-2H-pyrazolo[4,3-c]pyridine 5-Boc-2-methyl-6,7-dihydro-2H-py…

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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)	1.43	5.41	-9.86	0	5	0	47	237.303	2	↓ MOL2 SDF SMILES Flexibase

67433841

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-isopropyl-acetamide 2-(3-benzhydryl-1,4,6,7-tetrahyd…

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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)	4.01	10.88	-49.64	3	5	1	62	389.523	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.01	8.73	-13.59	2	5	0	61	388.515	6	↓ MOL2 SDF SMILES Flexibase

67434538

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-methoxyethyl)-3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine 5-(2-methoxyethyl)-3-(4-phenylph…

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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	9.84	-39.7	2	4	1	42	334.443	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.78	7.63	-9.37	1	4	0	41	333.435	5	↓ MOL2 SDF SMILES Flexibase

67446545

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidin 5-[[3-[4-(trifluoromethyl)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)	1.44	5.35	-58.74	4	7	1	99	392.361	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.44	3.13	-20.43	3	7	0	98	391.353	4	↓ MOL2 SDF SMILES Flexibase

67446918

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-[2-(4-chlorophenyl)ethylamino]-2-oxo-ethyl]-N-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine- 5-[2-[2-(4-chlorophenyl)ethylami…

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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)	1.85	5	-44.58	4	7	1	91	376.868	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.85	2.85	-15.68	3	7	0	90	375.86	6	↓ MOL2 SDF SMILES Flexibase

67447259

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-5-(3-isopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-6-methyl-4-(4-methyl-1H-im (4S)-5-(3-isopropyl-1,4,6,7-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)	1.20	4.09	-40.74	5	9	1	120	384.464	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.20	3.87	-18.07	4	9	0	119	383.456	3	↓ MOL2 SDF SMILES Flexibase

67447260

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-5-(3-isopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-6-methyl-4-(4-methyl-1H-im (4R)-5-(3-isopropyl-1,4,6,7-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)	1.20	4.69	-38.83	5	9	1	120	384.464	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.20	4.32	-17.8	4	9	0	119	383.456	3	↓ MOL2 SDF SMILES Flexibase

67472656

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(1-naphthyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(2R)-pyrrolidin-2-yl]methanone [3-(1-naphthyl)-1,4,6,7-tetrahyd…

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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)	2.66	7.9	-43.67	3	5	1	66	347.442	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.66	6.55	-12.31	2	5	0	61	346.434	2	↓ MOL2 SDF SMILES Flexibase

67473094

Analogs

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Popular Name: (2S,4S)-4-amino-N,N-diethyl-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)pyrroli (2S,4S)-4-amino-N,N-diethyl-1-(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)	-0.91	4.06	-106.76	5	8	2	101	350.467	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.91	1.39	-16.82	3	8	0	99	348.451	4	↓ MOL2 SDF SMILES Flexibase

67489836

Analogs

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Popular Name: 3-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol 3-(3-benzhydryl-1,4,6,7-tetrahyd…

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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	8.92	-46.49	3	4	1	53	348.47	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.37	6.71	-9.16	2	4	0	52	347.462	6	↓ MOL2 SDF SMILES Flexibase

67490728

Analogs

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Popular Name: (2S,3R)-2-amino-3-hydroxy-1-[3-(1-naphthyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butan-1-on (2S,3R)-2-amino-3-hydroxy-1-[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)	1.08	3.19	-49.76	5	6	1	97	351.43	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.08	3.1	-13.16	4	6	0	95	350.422	3	↓ MOL2 SDF SMILES Flexibase

67491166

Analogs

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Popular Name: (1R,6S)-9-(5-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-4,9-diazabicyclo[4.2.1]non (1R,6S)-9-(5-methyl-2,4,6,7-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)	0.84	3.65	-48.06	3	7	1	83	304.374	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.84	1.3	-11.11	2	7	0	81	303.366	1	↓ MOL2 SDF SMILES Flexibase

67513982

Analogs

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Popular Name: N-(3,5-dimethylisoxazol-4-yl)-4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]benza N-(3,5-dimethylisoxazol-4-yl)-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)	2.27	8.44	-59.48	3	7	1	88	380.472	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.27	6.21	-16.99	2	7	0	87	379.464	5	↓ MOL2 SDF SMILES Flexibase

67514732

Analogs

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Popular Name: (2S,4S,5R)-5-(2,3-difluorophenyl)-1-methyl-4-(2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)p (2S,4S,5R)-5-(2,3-difluorophenyl…

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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)	0.67	8.64	-40.65	2	7	0	94	390.39	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.67	7.18	-53.65	1	7	-1	92	389.382	3	↓ MOL2 SDF SMILES Flexibase

67515549

Analogs

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Popular Name: [(2S)-2-(2-pyrazol-1-ylethyl)-1-piperidyl]-[6-(2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-pyri [(2S)-2-(2-pyrazol-1-ylethyl)-1-…

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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)	1.34	8.9	-19.22	1	8	0	83	405.506	5	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	1.34	8.88	-18.25	1	8	0	83	405.506	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.34	9.26	-45.19	2	8	1	84	406.514	5	↓ MOL2 SDF SMILES Flexibase

67515552

Analogs

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Popular Name: [(2R)-2-(2-pyrazol-1-ylethyl)-1-piperidyl]-[6-(2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-pyri [(2R)-2-(2-pyrazol-1-ylethyl)-1-…

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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)	1.34	8.88	-18.5	1	8	0	83	405.506	5	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	1.34	8.86	-17.56	1	8	0	83	405.506	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.34	9.28	-45.28	2	8	1	84	406.514	5	↓ MOL2 SDF SMILES Flexibase

67540252

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-morpholin-2-yl]-[3-(1-naphthyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone [(2S)-morpholin-2-yl]-[3-(1-naph…

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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)	1.75	7.09	-60.85	3	6	1	75	363.441	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.75	5.73	-14.92	2	6	0	70	362.433	2	↓ MOL2 SDF SMILES Flexibase

67540254

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-morpholin-2-yl]-[3-(1-naphthyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone [(2R)-morpholin-2-yl]-[3-(1-naph…

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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)	1.75	7.2	-61.21	3	6	1	75	363.441	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.75	5.84	-16.13	2	6	0	70	362.433	2	↓ MOL2 SDF SMILES Flexibase

67559302

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-1-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone 2-amino-1-[3-(3-fluorophenyl)-1,…

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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)	0.27	3.12	-53.27	4	5	1	77	275.307	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.27	2.72	-13.56	3	5	0	75	274.299	2	↓ MOL2 SDF SMILES Flexibase

67739601

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(4-hydroxyphenyl (2S)-2-amino-1-[3-(2-fluoropheny…

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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)	1.63	4.57	-53.04	5	6	1	97	381.431	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.63	4.27	-14.23	4	6	0	95	380.423	4	↓ MOL2 SDF SMILES Flexibase

67739902

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-2-(3-isopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propanamide (2S)-N-cyclopentyl-2-(3-isopropy…

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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)	2.44	6.79	-40.2	3	5	1	62	305.446	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.44	4.68	-11.23	2	5	0	61	304.438	4	↓ MOL2 SDF SMILES Flexibase

67739903

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-2-(3-isopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propanamide (2R)-N-cyclopentyl-2-(3-isopropy…

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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)	2.44	6.99	-38.97	3	5	1	62	305.446	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.44	4.63	-10.96	2	5	0	61	304.438	4	↓ MOL2 SDF SMILES Flexibase

67740127

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-(dimethylamino)-5,6-dimethyl-pyrimidin-4-yl]-N-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine 5-[2-(dimethylamino)-5,6-dimethy…

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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)	1.43	7.11	-31.47	3	8	1	91	330.416	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.43	6.71	-14.26	2	8	0	90	329.408	3	↓ MOL2 SDF SMILES Flexibase

67741581

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-2-amino-1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-methyl-pe (2R,3R)-2-amino-1-[3-(3,4-difluo…

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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)	2.07	5.7	-52.01	4	5	1	77	349.405	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.07	5.38	-9.39	3	5	0	75	348.397	4	↓ MOL2 SDF SMILES Flexibase

67742062

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-2-methyl-5-[(3R)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-3-piperid 4-ethyl-2-methyl-5-[(3R)-1-(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)	-0.28	7.29	-53.57	2	9	1	93	374.469	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.28	4.94	-14.06	1	9	0	92	373.461	3	↓ MOL2 SDF SMILES Flexibase

67742063

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-2-methyl-5-[(3S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-3-piperid 4-ethyl-2-methyl-5-[(3S)-1-(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)	-0.28	7.43	-52.86	2	9	1	93	374.469	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.28	5.08	-15.13	1	9	0	92	373.461	3	↓ MOL2 SDF SMILES Flexibase

67755157

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,6-dimethyl-2-pyridyl)-3-(2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ylmethyl)benzamide N-(4,6-dimethyl-2-pyridyl)-3-(2,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.54	9.76	-50.21	3	6	1	75	362.457	4	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	2.54	9.75	-53.58	3	6	1	75	362.457	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.54	7.57	-17.36	2	6	0	74	361.449	4	↓ MOL2 SDF SMILES Flexibase

67755440

Analogs

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Popular Name: 4-[[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-N-methyl-thiazol-2-ami 4-[[3-(3-methoxyphenyl)-1,4,6,7-…

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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)	2.58	6.55	-40.52	3	6	1	67	356.475	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.58	4.31	-10.72	2	6	0	66	355.467	5	↓ MOL2 SDF SMILES Flexibase

67934879

Analogs

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Popular Name: 5-[[(3R)-3-hydroxy-1-(2-methoxyethyl)-2-oxo-3-piperidyl]methyl]-N-methyl-2,4,6,7-tetrahydropyrazolo[ 5-[[(3R)-3-hydroxy-1-(2-methoxye…

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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)	-1.07	1.78	-35.3	4	9	1	112	366.442	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.07	0.71	-18.73	3	9	0	111	365.434	6	↓ MOL2 SDF SMILES Flexibase

67934880

Analogs

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Popular Name: 5-[[(3S)-3-hydroxy-1-(2-methoxyethyl)-2-oxo-3-piperidyl]methyl]-N-methyl-2,4,6,7-tetrahydropyrazolo[ 5-[[(3S)-3-hydroxy-1-(2-methoxye…

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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)	-1.07	1.91	-33.57	4	9	1	112	366.442	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.07	0.91	-17.79	3	9	0	111	365.434	6	↓ MOL2 SDF SMILES Flexibase

67935330

Analogs

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Popular Name: (2S)-2-amino-4-methyl-1-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pentan-1-o (2S)-2-amino-4-methyl-1-[3-(4-ph…

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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)	3.63	8.93	-49.71	4	5	1	77	389.523	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.63	8.66	-10.28	3	5	0	75	388.515	5	↓ MOL2 SDF SMILES Flexibase

67947067

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethyl]-3-methyl-1H-pyrimidine 5-[2-[3-(4-chlorophenyl)-1,4,6,7…

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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)	1.70	5.71	-16.7	2	7	0	87	385.855	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.70	7.94	-57.27	3	7	1	88	386.863	4	↓ MOL2 SDF SMILES Flexibase

67947548

Analogs

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Popular Name: (1-aminocyclobutyl)-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone (1-aminocyclobutyl)-(3-benzhydry…

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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)	3.19	9.15	-51.7	4	5	1	77	387.507	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.19	8.86	-10.34	3	5	0	75	386.499	4	↓ MOL2 SDF SMILES Flexibase

67947894

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3S)-1-isopropylpyrrolidin-3-yl] [3-(4-chlorophenyl)-1,4,6,7-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)	3.21	9.61	-41.11	2	5	1	53	373.908	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.21	7.2	-11.46	1	5	0	52	372.9	3	↓ MOL2 SDF SMILES Flexibase

67947895

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3R)-1-isopropylpyrrolidin-3-yl] [3-(4-chlorophenyl)-1,4,6,7-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)	3.21	9.58	-42.04	2	5	1	53	373.908	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.21	7.21	-10.84	1	5	0	52	372.9	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 26248
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 = 26248 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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