UCSF

ZINC01529320

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 13 Yes

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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) -3.13 -6.63 -79.3 8 6 1 131 189.239 7

Vendor Notes

Note Type Comments Provided By
MP 206 TCI
Mp [°C] 213 - 215 Acros Organics
MP 213-215 °C(lit.) Indofine
Melting_Point 213-215? Alfa-Aesar
Melting_Point 213-215° Alfa-Aesar
ALOGPS_SOLUBILITY 6.91e-01 g/l DrugBank-experimental
Purity 95% Fluorochem
Purity >95% Fluorochem
UniProt Database Links ARGHX_STRVI; ARGI1_HUMAN; ARGI1_RAT; ARGI_YEAST ChEBI
Patent Database Links EP1506970; EP1724254; EP1897888; EP1972615; US2003073640; US2005256058; US2005266520; US2006166897; US2006172952; US2006234314; US2007244055; US2007249526; US2007264194; WO2005007634; WO2005080353; WO2005100381; WO2006131833; WO2007087572 ChEBI
SOLUBILITY H2O: 50 mg/mL, clear to slightly hazy, faintly yellow Indofine
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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