UCSF

ZINC16697842

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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) 0.28 3.56 -17.75 1 4 0 51 205.213 2
Hi High (pH 8-9.5) 2.68 8.98 -46.11 2 5 1 55 356.49 4

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Matrix Scientific
PUBCHEM_PATENT_ID EP0343574A1; EP0343574B1; EP0990647A1; US5081121; WO1998013350A1; WO2000068200A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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