UCSF

ZINC13226881

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 21 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) 0.63 7.7 -14.37 0 7 0 92 295.291 8
Lo Low (pH 4.5-6) 0.63 7.98 -39.73 1 7 1 93 296.299 8

Activity (Go SEA)

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