UCSF

ZINC05361136

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 21 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) -1.34 3.87 -20.92 2 10 0 131 295.255 5
Mid Mid (pH 6-8) -1.34 4.35 -58.15 3 10 1 132 296.263 5

Activity (Go SEA)

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