UCSF

ZINC05422617

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 20 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) 3.78 7.18 -7.75 2 3 0 45 329.197 3
Mid Mid (pH 6-8) 3.84 5.8 -37.96 3 3 1 50 330.205 3

Activity (Go SEA)

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