UCSF

ZINC07386411

Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2006 23 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) 3.17 9.25 -47.84 2 5 1 60 339.843 6
Hi High (pH 8-9.5) 3.17 7 -12.91 1 5 0 59 338.835 6

Activity (Go SEA)

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