UCSF

ZINC05766438

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 29 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) 7.64 1.92 -2.29 1 1 0 20 396.659 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0028484A1; EP0049601A2; EP0070588A1; EP0078704A1; EP0127086A2; EP0130509A1; EP0152138A1; EP0252740A1; EP0373687A1; EP0373687B1; EP0402982A1; EP0402982B1; EP0454204A2; EP0454204B1; EP0536311A1; EP0558119A3; EP0558119B1; EP0967202A1; EP0969001A2; EP096984 IBM Patent Data

Activity (Go SEA)

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