UCSF

ZINC13990107

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 25 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) 3.91 10.25 -5.31 0 2 0 16 338.401 7
Lo Low (pH 4.5-6) 3.91 12.71 -106.1 2 2 2 19 340.417 7
Lo Low (pH 4.5-6) 3.91 10.69 -37.84 1 2 1 17 339.409 7

Activity (Go SEA)

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