UCSF

ZINC35042503

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 3.54 7.28 -37.66 2 3 1 43 216.345 9
Mid Mid (pH 6-8) 3.54 6.2 -5.06 1 3 0 38 215.337 9

Activity (Go SEA)

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