UCSF

ZINC40282909

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 26 Yes

Popular Name: (7S)-3-(2-chlorophenyl)-7-(3-hydroxy-4-methoxy-phenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (7S)-3-(2-chlorophenyl)-7-(3-hyd…

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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) 2.87 5.32 -12.53 2 6 0 80 369.808 3 ↓
Ref Reference (pH 7) 2.69 7.98 -12.82 2 6 0 76 369.808 3 ↓
Lo Low (pH 4.5-6) 2.87 5.78 -37.98 3 6 1 81 370.816 3 ↓

Activity (Go SEA)

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