UCSF

ZINC00542860

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 25 No

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) 3.08 10.25 -20.96 0 8 0 102 338.302 3
Mid Mid (pH 6-8) 3.08 11.25 -46.52 2 8 1 106 339.31 3

Activity (Go SEA)

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