UCSF

ZINC37981956

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 18 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) 0.71 4.17 -44.61 3 4 1 59 248.35 5
Lo Low (pH 4.5-6) 0.71 4.53 -81.29 4 4 2 60 249.358 5

Activity (Go SEA)

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