UCSF

ZINC40162849

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2010 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) 1.63 7.08 -64.55 2 6 0 77 263.297 2
Mid Mid (pH 6-8) 1.63 4.71 -46.98 1 6 -1 76 262.289 2

Activity (Go SEA)

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