UCSF

ZINC39262853

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 21 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) 5.13 11.11 -4.96 0 1 0 9 274.363 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0076489A2; EP0420872A1; EP0420872B1; EP0716856A2; EP0716856A3; EP0717748A1; EP0717748B1; US4859768; US5021550; US5089400; US5310894; US5700785; WO1989012380A2; WO1998014567A2; WO1999063112A2 IBM Patent Data

Activity (Go SEA)

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