UCSF

ZINC19261201

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 9 Yes

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

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CAS Numbers: 1187830-85-8 , 157327-44-1 , 27913-99-1 , 410544-19-3 , N/A , [1187830-85-8] , [157327-44-1] , [410544-19-3]

Download: MOL2 SDF SMILES Flexibase

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.08 1.03 -43.54 3 3 1 45 124.167 0 ↓
Hi High (pH 8-9.5) 0.08 -0.35 -5.68 2 3 0 41 123.159 0 ↓
Hi High (pH 8-9.5) 2.00 9.61 -21.65 1 9 0 116 403.387 8 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 2.600000000000000e+002 - 2.640000000000000e+002 KeyOrganics
MP 224 - 226 Enamine Building Blocks
MP 224...226 Enamine Building Blocks
melting_point 260 - 264 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.