UCSF

ZINC05483794

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 26 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) 1.36 3.6 -15.59 3 10 0 149 353.294 4
Mid Mid (pH 6-8) 1.82 1.84 -38.85 2 10 -1 152 352.286 4

Activity (Go SEA)

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