UCSF

ZINC19489209

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 15 Yes

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) 0.19 3.04 -94.74 5 4 2 61 217.357 7
Hi High (pH 8-9.5) 0.19 2.71 -40.83 4 4 1 60 216.349 7
Hi High (pH 8-9.5) 0.19 0.39 -8.73 3 4 0 58 215.341 7
Hi High (pH 8-9.5) 0.19 0.73 -44.05 4 4 1 60 216.349 7

Activity (Go SEA)

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