UCSF

ZINC36354860

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 25 Yes

Popular Name: (7S)-3-(3-chloro-4-fluoro-phenyl)-7-(3-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (7S)-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) 3.17 5.45 -10.16 2 5 0 71 357.772 2 ↓
Ref Reference (pH 7) 2.98 8.1 -10.86 2 5 0 67 357.772 2 ↓
Lo Low (pH 4.5-6) 3.17 5.91 -39.02 3 5 1 72 358.78 2 ↓

Activity (Go SEA)

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