UCSF

ZINC05545726

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 27 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) 4.42 10.76 -10.84 1 4 0 47 375.859 5
Lo Low (pH 4.5-6) 4.42 12.05 -30.25 2 4 1 48 376.867 5

Activity (Go SEA)

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