UCSF

ZINC05052967

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 11 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) -0.02 0.54 -11.3 2 3 0 56 148.165 2
Lo Low (pH 4.5-6) -0.02 0.82 -29.28 3 3 1 57 149.173 2

Activity (Go SEA)

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