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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

2793250

Analogs

2793251
2793252
2793253

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dichlorophenyl)-3-[[(5R,7S)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyri 1-(2,5-dichlorophenyl)-3-[[(5R,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)	4.06	10.89	-17.66	4	7	0	83	511.385	7	↓ MOL2 SDF SMILES Flexibase

2793251

Analogs

2793252
2793253
2793250

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dichlorophenyl)-3-[[(5S,7S)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyri 1-(2,5-dichlorophenyl)-3-[[(5S,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)	4.06	10.88	-17.6	4	7	0	83	511.385	7	↓ MOL2 SDF SMILES Flexibase

2793252

Analogs

2793253
2793250
2793251

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dichlorophenyl)-3-[[(5R,7R)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyri 1-(2,5-dichlorophenyl)-3-[[(5R,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)	4.06	10.8	-20.03	4	7	0	83	511.385	7	↓ MOL2 SDF SMILES Flexibase

2793253

Analogs

2793250
2793251
2793252

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dichlorophenyl)-3-[[(5S,7R)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyri 1-(2,5-dichlorophenyl)-3-[[(5S,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)	4.06	10.86	-17.56	4	7	0	83	511.385	7	↓ MOL2 SDF SMILES Flexibase

2793770

Analogs

2793771
2793772
2793773

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5R,7S)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5R,7S)-7-(difluoromethyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.57	11.05	-18.24	4	7	0	83	470.549	7	↓ MOL2 SDF SMILES Flexibase

2793771

Analogs

2793772
2793773
2793770

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5R,7R)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5R,7R)-7-(difluoromethyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.57	11.07	-19.55	4	7	0	83	470.549	7	↓ MOL2 SDF SMILES Flexibase

2793772

Analogs

2793773
2793770
2793771

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5S,7S)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5S,7S)-7-(difluoromethyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.57	10.96	-18.08	4	7	0	83	470.549	7	↓ MOL2 SDF SMILES Flexibase

2793773

Analogs

2793770
2793771
2793772

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5S,7R)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5S,7R)-7-(difluoromethyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.57	11.03	-18.11	4	7	0	83	470.549	7	↓ MOL2 SDF SMILES Flexibase

2793854

Analogs

2793855
2793856
2793857

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5R,7S)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5R,7S)-7-(difluoromethyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.64	11.67	-16.16	4	7	0	83	470.549	8	↓ MOL2 SDF SMILES Flexibase

2793855

Analogs

2793856
2793857
2793854

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5R,7R)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5R,7R)-7-(difluoromethyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.64	10.96	-19.7	4	7	0	83	470.549	8	↓ MOL2 SDF SMILES Flexibase

2793856

Analogs

2793857
2793854
2793855

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5S,7S)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5S,7S)-7-(difluoromethyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.64	10.95	-17.61	4	7	0	83	470.549	8	↓ MOL2 SDF SMILES Flexibase

2793857

Analogs

2793854
2793855
2793856

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5S,7R)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5S,7R)-7-(difluoromethyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.64	11.66	-19.55	4	7	0	83	470.549	8	↓ MOL2 SDF SMILES Flexibase

2793866

Analogs

2793867
2793868
2793869

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5R,7S)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5R,7S)-7-(difluoromethyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.17	10.55	-20.46	4	7	0	83	456.522	7	↓ MOL2 SDF SMILES Flexibase

2793867

Analogs

2793868
2793869
2793866

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5R,7R)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5R,7R)-7-(difluoromethyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.17	10.51	-22.49	4	7	0	83	456.522	7	↓ MOL2 SDF SMILES Flexibase

2793868

Analogs

2793869
2793866
2793867

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5S,7S)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5S,7S)-7-(difluoromethyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.17	10.5	-22.62	4	7	0	83	456.522	7	↓ MOL2 SDF SMILES Flexibase

2793869

Analogs

2793866
2793867
2793868

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5S,7R)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5S,7R)-7-(difluoromethyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.17	10.54	-20.29	4	7	0	83	456.522	7	↓ MOL2 SDF SMILES Flexibase

2793885

Analogs

2793886
2793887
2793888

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5R,7S)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5R,7S)-7-(difluoromethyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.60	11.56	-16.95	4	7	0	83	470.549	7	↓ MOL2 SDF SMILES Flexibase

2793886

Analogs

2793887
2793888
2793885

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5R,7R)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5R,7R)-7-(difluoromethyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.60	10.85	-20.5	4	7	0	83	470.549	7	↓ MOL2 SDF SMILES Flexibase

2793887

Analogs

2793888
2793885
2793886

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5S,7S)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5S,7S)-7-(difluoromethyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.60	10.84	-18.33	4	7	0	83	470.549	7	↓ MOL2 SDF SMILES Flexibase

2793888

Analogs

2793885
2793886
2793887

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5S,7R)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5S,7R)-7-(difluoromethyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.60	11.55	-20.27	4	7	0	83	470.549	7	↓ MOL2 SDF SMILES Flexibase

2794060

Analogs

2794061
2794062
2794063

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5R,7S)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5R,7S)-7-(difluoromethyl)-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)	2.81	8.46	-19.4	4	9	0	101	502.547	9	↓ MOL2 SDF SMILES Flexibase

2794061

Analogs

2794062
2794063
2794060

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5R,7R)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5R,7R)-7-(difluoromethyl)-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)	2.81	8.38	-21.84	4	9	0	101	502.547	9	↓ MOL2 SDF SMILES Flexibase

2794062

Analogs

2794063
2794060
2794061

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5S,7S)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5S,7S)-7-(difluoromethyl)-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)	2.81	8.47	-19.47	4	9	0	101	502.547	9	↓ MOL2 SDF SMILES Flexibase

2794063

Analogs

2794060
2794061
2794062

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5S,7R)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5S,7R)-7-(difluoromethyl)-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)	2.81	8.45	-19.35	4	9	0	101	502.547	9	↓ MOL2 SDF SMILES Flexibase

2794081

Analogs

2794082
2794083
2794084

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5R,7S)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5R,7S)-7-(difluoromethyl)-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)	2.78	9.43	-16.45	4	8	0	92	472.521	8	↓ MOL2 SDF SMILES Flexibase

2794082

Analogs

2794083
2794084
2794081

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5R,7R)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5R,7R)-7-(difluoromethyl)-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)	2.78	8.72	-20.27	4	8	0	92	472.521	8	↓ MOL2 SDF SMILES Flexibase

2794083

Analogs

2794084
2794081
2794082

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5S,7S)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5S,7S)-7-(difluoromethyl)-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)	2.78	8.71	-17.97	4	8	0	92	472.521	8	↓ MOL2 SDF SMILES Flexibase

2794084

Analogs

2794081
2794082
2794083

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5S,7R)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5S,7R)-7-(difluoromethyl)-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)	2.78	9.42	-19.97	4	8	0	92	472.521	8	↓ MOL2 SDF SMILES Flexibase

2794635

Analogs

2794636
2794637
2794638
2794797
2794798

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5R,7S)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5R,7S)-7-(difluoromethyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.16	10.35	-16.04	4	8	0	92	486.548	9	↓ MOL2 SDF SMILES Flexibase

2794636

Analogs

2794637
2794638
2794635

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5R,7R)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5R,7R)-7-(difluoromethyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.16	9.65	-19.92	4	8	0	92	486.548	9	↓ MOL2 SDF SMILES Flexibase

2794637

Analogs

2794638
2794635
2794636

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5S,7S)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5S,7S)-7-(difluoromethyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.16	9.64	-17.66	4	8	0	92	486.548	9	↓ MOL2 SDF SMILES Flexibase

2794638

Analogs

2794635
2794636
2794637

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5S,7R)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5S,7R)-7-(difluoromethyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.16	10.35	-19.58	4	8	0	92	486.548	9	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	3.33	10.71	-46.08	5	8	1	97	487.556	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.01	9.6	-73.8	3	8	-1	96	485.54	8	↓ MOL2 SDF SMILES Flexibase

2794679

Analogs

2794680
2794681
2794682
2794797
2794798

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5R,7S)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-ca 1-[[(5R,7S)-5-(4-methoxyphenyl)-…

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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	9.9	-22.13	4	8	0	92	504.538	8	↓ MOL2 SDF SMILES Flexibase

2794680

Analogs

2794681
2794682
2794797
2794798
2794799

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5R,7R)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-ca 1-[[(5R,7R)-5-(4-methoxyphenyl)-…

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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	8.98	-23.35	4	8	0	92	504.538	8	↓ MOL2 SDF SMILES Flexibase

2794681

Analogs

2794682
2794797
2794798
2794799
2794800

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5S,7S)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-ca 1-[[(5S,7S)-5-(4-methoxyphenyl)-…

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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	9.09	-23.87	4	8	0	92	504.538	8	↓ MOL2 SDF SMILES Flexibase

2794682

Analogs

2794797
2794798
2794799
2794800
2794679

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5S,7R)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-ca 1-[[(5S,7R)-5-(4-methoxyphenyl)-…

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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	9.89	-22.25	4	8	0	92	504.538	8	↓ MOL2 SDF SMILES Flexibase

2794754

Analogs

2794755
2794756
2794757
2794797
2794798

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5R,7S)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-ca 1-[[(5R,7S)-5-(4-methoxyphenyl)-…

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Activity (Go SEA)

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)	3.58	10.12	-22.67	4	8	0	92	504.538	8	↓ MOL2 SDF SMILES Flexibase

2794755

Analogs

2794756
2794757
2794797
2794798
2794799

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5R,7R)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-ca 1-[[(5R,7R)-5-(4-methoxyphenyl)-…

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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)	3.58	9.12	-23.21	4	8	0	92	504.538	8	↓ MOL2 SDF SMILES Flexibase

2794756

Analogs

2794757
2794797
2794798
2794799
2794800

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5S,7S)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-ca 1-[[(5S,7S)-5-(4-methoxyphenyl)-…

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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)	3.58	9.12	-23.88	4	8	0	92	504.538	8	↓ MOL2 SDF SMILES Flexibase

2794757

Analogs

2794797
2794798
2794799
2794800
2794754

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5S,7R)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-ca 1-[[(5S,7R)-5-(4-methoxyphenyl)-…

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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)	3.58	10.11	-22.19	4	8	0	92	504.538	8	↓ MOL2 SDF SMILES Flexibase

2794797

Analogs

2794682
2794681
2794680
2794679
2794754

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5R,7S)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5R,7S)-7-(difluoromethyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.20	9.93	-22.13	4	8	0	92	486.548	9	↓ MOL2 SDF SMILES Flexibase

2794798

Analogs

2794682
2794681
2794680
2794679
2794754

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5R,7R)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5R,7R)-7-(difluoromethyl)-5…

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Activity (Go SEA)

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)	3.20	9.86	-24.28	4	8	0	92	486.548	9	↓ MOL2 SDF SMILES Flexibase

2794799

Analogs

2794682
2794681
2794680
2794679
2794754

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5S,7S)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5S,7S)-7-(difluoromethyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.20	9.92	-21.92	4	8	0	92	486.548	9	↓ MOL2 SDF SMILES Flexibase

2794800

Analogs

2794682
2794681
2794680
2794679
2794754

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5S,7R)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino 1-[[(5S,7R)-7-(difluoromethyl)-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.20	9.93	-22.16	4	8	0	92	486.548	9	↓ MOL2 SDF SMILES Flexibase

2794832

Analogs

2795265
2795266
2795267

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5R,7S)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-ca 1-[[(5R,7S)-5-(4-methoxyphenyl)-…

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Activity (Go SEA)

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)	3.61	9.95	-21.95	4	8	0	92	504.538	8	↓ MOL2 SDF SMILES Flexibase

2795265

Analogs

2795266
2795267
2794832

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5R,7R)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-ca 1-[[(5R,7R)-5-(4-methoxyphenyl)-…

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Activity (Go SEA)

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)	3.61	8.99	-23.1	4	8	0	92	504.538	8	↓ MOL2 SDF SMILES Flexibase

2795266

Analogs

2795267
2794832
2795265

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5S,7S)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-ca 1-[[(5S,7S)-5-(4-methoxyphenyl)-…

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Activity (Go SEA)

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)	3.61	9.1	-23.67	4	8	0	92	504.538	8	↓ MOL2 SDF SMILES Flexibase

2795267

Analogs

2794832
2795265
2795266

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(5S,7R)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-ca 1-[[(5S,7R)-5-(4-methoxyphenyl)-…

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Activity (Go SEA)

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)	3.61	9.95	-22.11	4	8	0	92	504.538	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 238049
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 = 238049 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=238049&filter.purchasability=annotated

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', {
        "ring.id": "238049"        

    });
</script>

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