UCSF

ZINC34527061

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 24 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) 3.04 5.79 -46.26 3 5 1 65 330.404 5
Mid Mid (pH 6-8) 3.04 4.67 -9.38 2 5 0 60 329.396 5

Activity (Go SEA)

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