UCSF

ZINC37842074

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 No

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) -0.87 1.27 -8.91 1 6 0 65 248.286 2
Lo Low (pH 4.5-6) -0.87 3.55 -44.75 2 6 1 66 249.294 2

Activity (Go SEA)

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