UCSF

ZINC02003955

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Vendors

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) -2.94 1.83 -46.84 3 5 0 94 161.157 5
Hi High (pH 8-9.5) -2.94 1.49 -48.68 2 5 -1 92 160.149 5

Vendor Notes

Note Type Comments Provided By
MP 136-137o C Indofine
MP 182 - 184 Enamine Building Blocks
MP 182...184 Enamine Building Blocks
Melting_Point 182? dec. Alfa-Aesar
Melting_Point 182° dec. Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Purity 98% min APIChem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US5994312 IBM Patent Data

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