UCSF

ZINC40175249

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) 4.56 13.11 -30.82 1 5 1 47 404.534 6
Mid Mid (pH 6-8) 4.56 15.32 -87.28 2 5 2 48 405.542 6
Mid Mid (pH 6-8) 4.56 14.98 -43.95 1 5 1 47 404.534 6
Mid Mid (pH 6-8) 4.56 12.77 -7.2 0 5 0 46 403.526 6

Activity (Go SEA)

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