UCSF

ZINC21792245

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 5.39 7.2 -9.79 2 4 0 50 352.356 6
Lo Low (pH 4.5-6) 5.39 7.5 -39.47 3 4 1 55 353.364 6

Activity (Go SEA)

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