UCSF

ZINC01529198

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 14 No

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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) -4.86 2.1 -66.58 6 6 0 136 240.306 7
Hi High (pH 8-9.5) -4.86 1.79 -63.06 5 6 -1 134 239.298 7
Hi High (pH 8-9.5) -4.86 1.5 -91.57 4 6 -2 132 238.29 7

Vendor Notes

Note Type Comments Provided By
SOLUBILITY 1 M HCl: 100 mg/mL Indofine
MP 236 - 238 Enamine Building Blocks
MP 236...238 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
MP >240 °C (dec.)(lit.) Indofine
Melting_Point >240? dec. Alfa-Aesar
Melting_Point >240° dec. Alfa-Aesar
UniProt Database Links APR1_ARATH; APR1_ORYSJ; APR2_ARATH; APR3_ARATH; CDR_STAA8; CER1_CHICK; CER1_HUMAN; CER1_MOUSE; CER1_XENLA; CER1_XENTR; CORI3_ARATH; CSD1_MYCLE; CSD2_MYCLE; CSDA_ECOLI; CSD_BACHD; CSD_BACSU; CSD_BORBU; CSD_CHLMU; CSD_CHLPN; CSD_CHLTR; CSD_HAEIN; CSD_MYCBO ChEBI
PUBCHEM_PATENT_ID EP0462187A1; EP0462187B1 IBM Patent Data
Patent Database Links EP0951842; EP1214933; EP1364943; EP1466602; EP1524270; EP1532976; EP1574521; EP1652519; EP1707200; EP1752131; EP1752146; EP1752538; EP1767200; EP1808162; EP1808177; EP1818395; EP1829540; EP1837040; EP1839502; EP1880731; EP1886676; EP1914678; EP1915986; EP ChEBI
therap nutrient MicroSource Spectrum
Notes Synthetically derived Apollo Scientific Bioactives

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