UCSF

ZINC36358217

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Substance Information

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

Popular Name: (7S)-3-(3-chloro-4-fluoro-phenyl)-7-(3-hydroxy-4-methoxy-phenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridi (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) 3.01 5.43 -11.02 2 6 0 80 387.798 3 ↓
Ref Reference (pH 7) 2.83 8.1 -12.24 2 6 0 76 387.798 3 ↓
Lo Low (pH 4.5-6) 3.01 5.89 -42.37 3 6 1 81 388.806 3 ↓

Activity (Go SEA)

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