UCSF

ZINC20549506

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 19 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) 2.67 3.45 -10.39 2 5 0 78 272.695 2
Lo Low (pH 4.5-6) 2.67 4.03 -33.17 3 5 1 79 273.703 2

Activity (Go SEA)

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