UCSF

ZINC39245606

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 7 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) -0.32 1.34 -17.52 1 3 0 46 101.105 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0053815A1; EP0053816A1; EP0093376A2; EP0093376B2; EP0294647A2; EP0294647B1; EP0337637A1; EP0337637B1; EP0597821A1; EP0763524A1; EP0763524B1; EP1027351A1; EP1063228A1; US4110327; US4112090; US4219554; US4327097; US4379152; US4410522; US4550105; US4665067 IBM Patent Data

Activity (Go SEA)

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