UCSF

ZINC12399099

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 18 Yes

Popular Name: 2-[4-(difluoromethyl)-3-methyl-6-oxo-1H,6H,7H-pyrazolo[3,4-b]pyridin-1-yl]acetic acid 2-[4-(difluoromethyl)-3-methyl-6…

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CAS Number: 1018150-76-9

Other Names:

MFCD10001634

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) 0.40 0.58 -50.05 1 6 -1 91 256.188 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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

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