UCSF

ZINC34084425

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2009 15 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) 1.72 2.81 -46.96 2 3 1 35 214.191 0
Mid Mid (pH 6-8) 1.72 1.37 -6.13 1 3 0 30 213.183 0

Activity (Go SEA)

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