UCSF

ZINC20083329

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 16 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) 1.63 4.2 -44.3 4 3 1 60 241.742 6
Mid Mid (pH 6-8) 1.63 3.09 -8.84 3 3 0 55 240.734 6

Activity (Go SEA)

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