UCSF

ZINC04790752

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 28 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) 5.08 13.1 -15.91 1 5 0 56 375.403 5
Mid Mid (pH 6-8) 5.08 13.54 -33.79 2 5 1 57 376.411 5

Activity (Go SEA)

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