UCSF

ZINC34661063

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 23 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) 0.52 6.02 -358.17 0 10 -4 171 390.158 10
Mid Mid (pH 6-8) 0.52 4.88 -220.96 1 10 -3 168 391.166 10

Activity (Go SEA)

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