UCSF

ZINC18168713

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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) -2.22 -7.07 -11.11 4 5 0 98 150.13 4

Vendor Notes

Note Type Comments Provided By
Melting_Point 82-86? Alfa-Aesar
Melting_Point 82-86° Alfa-Aesar
MP 88-92 °C(lit.) Indofine
MP 88-92° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
UniProt Database Links AMML_ASTMO; AMN_ECO57; AMN_ECOLI; AMPP1_ARCFU; AMPP2_ARCFU; AMPPA_HYPBU; AMPPA_META3; AMPPA_METAC; AMPPA_METB6; AMPPA_METBF; AMPPA_METBU; AMPPA_METHJ; AMPPA_METJA; AMPPA_METLZ; AMPPA_METM5; AMPPA_METM6; AMPPA_METM7; AMPPA_METMA; AMPPA_METMJ; AMPPA_METMP ChEBI
Patent Database Links EP1498134; EP1647269; EP1669355; EP1745789; EP1757296; US2007190160; US2007191287; US2007197437; US2007231288; US2007244049; WO2005005432; WO2005023198; WO2005097817; WO2006058669; WO2006099132; WO2007127172 ChEBI
SOLUBILITY H2O: 0.1 g/mL, clear, colorless to light yellow Indofine
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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