UCSF

ZINC34993174

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 3.32 5.88 -8.78 2 3 0 41 262.397 7
Mid Mid (pH 6-8) 3.32 7.05 -40.71 3 3 1 46 263.405 7

Activity (Go SEA)

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