UCSF

ZINC67225524

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 22 Yes

Popular Name: N-(2-chloro-4-methyl-phenyl)-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-(2-chloro-4-methyl-phenyl)-5-m…

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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) 2.79 4.79 -46.86 1 6 -1 82 315.74 2 ↓
Mid Mid (pH 6-8) 2.33 6.21 -16.48 2 6 0 79 316.748 2 ↓

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

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