UCSF

ZINC13153842

Substance Information

In ZINC since Heavy atoms Benign functionality
May 31st, 2008 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) 2.84 10.06 -34.79 1 3 1 28 231.319 6
Mid Mid (pH 6-8) 2.84 9.55 -9.52 0 3 0 27 230.311 6

Activity (Go SEA)

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