UCSF

ZINC33934976

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 31 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) -5.45 1.11 -156.29 4 15 -1 219 487.319 10

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0027622A1; EP0123504A2; EP0229644A2; EP0229644B1; EP0254313A2; EP0254313B1; EP0282971A2; EP0282971B1; EP0369474A2; EP0393696A2; EP0393838A1; EP0393838B1; EP0424179A2; EP0424179A3; EP0424528A1; EP0427925A3; EP0433239A1; EP0433239B1; EP0436189A1; EP043618 IBM Patent Data

Activity (Go SEA)

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