UCSF

ZINC58139050

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2011 17 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) -0.09 2.53 -11.63 0 5 0 42 242.319 4
Mid Mid (pH 6-8) -0.09 4.77 -44.71 1 5 1 43 243.327 4

Activity (Go SEA)

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