UCSF

ZINC06325546

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2006 18 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) 0.29 2.27 -6.98 2 5 0 71 249.314 6
Lo Low (pH 4.5-6) 0.29 2.54 -37.74 3 5 1 72 250.322 6

Activity (Go SEA)

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