UCSF

ZINC33729104

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 35 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) 5.37 13.68 -11.42 0 5 0 41 466.56 6
Mid Mid (pH 6-8) 5.37 16 -51.56 1 5 1 43 467.568 6

Activity (Go SEA)

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