UCSF

ZINC20294906

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 18 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) -1.54 1.63 -46.31 5 5 1 91 248.306 3
Mid Mid (pH 6-8) -1.54 1.29 -16.98 4 5 0 89 247.298 3

Activity (Go SEA)

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