UCSF

ZINC40175239

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 30 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) 4.62 13.18 -30.6 1 5 1 47 404.534 7
Mid Mid (pH 6-8) 4.62 15.4 -88.02 2 5 2 48 405.542 7
Mid Mid (pH 6-8) 4.62 15.05 -44.07 1 5 1 47 404.534 7
Mid Mid (pH 6-8) 4.62 12.83 -7.2 0 5 0 46 403.526 7

Activity (Go SEA)

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