UCSF

ZINC34940141

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 20 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) 3.96 6.38 -53.81 3 3 1 46 357.655 4
Mid Mid (pH 6-8) 3.96 6.05 -6.62 2 3 0 44 356.647 4

Activity (Go SEA)

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