UCSF

ZINC13125288

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 20 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) 0.51 5.79 -10.84 1 8 0 95 272.268 3
Lo Low (pH 4.5-6) 0.68 6.13 -33.03 2 8 1 100 273.276 3

Activity (Go SEA)

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