UCSF

ZINC68955175

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 15 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) 0.96 3.03 -28.23 3 4 1 59 209.269 2
Mid Mid (pH 6-8) 0.96 2.59 -5.91 2 4 0 57 208.261 2

Activity (Go SEA)

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

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