UCSF

ZINC28824327

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 22 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) 3.44 11.44 -9.02 3 7 0 89 320.784 4
Lo Low (pH 4.5-6) 3.44 11.87 -26.46 4 7 1 90 321.792 4

Activity (Go SEA)

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