UCSF

ZINC28523398

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 25 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) 3.50 11.7 -122.1 3 3 2 24 339.527 7
Mid Mid (pH 6-8) 3.50 9.22 -45.8 2 3 1 23 338.519 7

Activity (Go SEA)

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