UCSF

ZINC06533142

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2006 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) 4.16 8.62 -13.03 1 4 0 42 339.222 5
Lo Low (pH 4.5-6) 4.16 9.37 -74.63 2 4 0 43 340.23 5

Activity (Go SEA)

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