UCSF

ZINC06136557

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2006 24 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) 4.71 7.04 -11.44 1 5 0 64 340.404 4
Lo Low (pH 4.5-6) 4.22 7.41 -13.22 1 5 0 60 340.404 5

Activity (Go SEA)

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