UCSF

ZINC21540906

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 22 Yes

Popular Name: N-(5-chloro-2-methyl-phenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4-yl)acetamide N-(5-chloro-2-methyl-phenyl)-2-(…

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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) 3.19 6.02 -18.7 1 5 0 50 318.808 3 ↓
Mid Mid (pH 6-8) 3.19 6.13 -31.93 2 5 1 51 319.816 3 ↓
Lo Low (pH 4.5-6) 3.19 7.73 -57.71 2 5 1 51 319.816 3 ↓

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

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