UCSF

ZINC36360579

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 28 Yes

Popular Name: (7R)-3-(3-chloro-4-fluoro-phenyl)-7-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (7R)-3-(3-chloro-4-fluoro-phenyl…

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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) 3.71 6.99 -10.36 1 6 0 69 401.825 4 ↓
Ref Reference (pH 7) 3.53 9.64 -10.88 1 6 0 65 401.825 4 ↓
Lo Low (pH 4.5-6) 3.71 7.44 -36.45 2 6 1 70 402.833 4 ↓

Activity (Go SEA)

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