UCSF

ZINC62992523

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 12 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) -0.54 0.37 -37.38 3 6 0 90 166.188 4
Lo Low (pH 4.5-6) -0.54 0.51 -42.22 4 6 1 92 167.196 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.