UCSF

ZINC39390981

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 8 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) 0.67 1.46 -3.11 0 2 0 18 116.16 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0362686A2; EP0362686B1; EP0503785A1; EP0545912A3; EP0633890A1; EP0633890B1; EP0655065A1; EP0655065B1; EP0940395A1; EP0975632A1; EP1005338A1; US5151413; US5256790; US5302600; US5616599; US5646171; US5681945; US5886193; US6100407; WO1992006103A1; WO199302 IBM Patent Data

Activity (Go SEA)

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