UCSF

ZINC28569939

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 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) 3.62 6.17 -8.68 0 5 0 52 323.348 3
Mid Mid (pH 6-8) 0.03 5.06 -36.72 1 5 1 55 324.356 2

Activity (Go SEA)

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