UCSF

ZINC40175245

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 31 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) 5.24 13.34 -30.98 1 5 1 47 418.561 7
Mid Mid (pH 6-8) 5.24 15.58 -82.31 2 5 2 48 419.569 7
Mid Mid (pH 6-8) 5.24 15.16 -37.05 1 5 1 47 418.561 7
Mid Mid (pH 6-8) 5.24 12.93 -5.05 0 5 0 46 417.553 7

Activity (Go SEA)

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