UCSF

ZINC20083338

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 17 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) 1.62 4.37 -49.27 4 3 1 60 239.314 7
Mid Mid (pH 6-8) 1.62 3.11 -10.04 3 3 0 55 238.306 7

Activity (Go SEA)

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