UCSF

ZINC05882380

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.52 5.95 -9.35 2 5 0 70 339.848 6
Lo Low (pH 4.5-6) 3.52 6.55 -31.24 3 5 1 71 340.856 6

Activity (Go SEA)

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