UCSF

ZINC05112457

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2006 18 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) -2.12 -6.18 -12.46 3 7 0 104 252.226 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0208550A2; EP0208550B1; EP0251786A2; EP0251786B1; EP0272065A2; EP0272065B1; EP0486477A2; EP0486477A3; EP0726904A1; US4424211; US4863906; US5028596; US5047519; US5079235; US5151507; US5633360; US5843917 IBM Patent Data

Activity (Go SEA)

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