UCSF

ZINC02034415

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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) -1.09 -1.78 -42.92 3 3 0 67 131.175 4

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 1.201 Bitter DB
MP 300 - 302 Enamine Building Blocks
MP 300...302 Enamine Building Blocks
ALOGPS_SOLUBILITY 8.91e+01 g/l DrugBank-experimental
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Fluorochem
MP =300 °C Indofine
Melting_Point >300? Alfa-Aesar
Melting_Point >300° Alfa-Aesar
UniProt Database Links AMPN_CHICK; ECM38_YEAST; GRAM_HUMAN; GRAM_RAT; NEP1_NEPDI; NEP1_NEPGR; NEP2_NEPDI; NEP2_NEPGR; ODH_ARTSC; OXLA_BOTLC; PABA_ECOLI; PABB_ECOLI; PHYSA_PHYPO ChEBI
Patent Database Links EP0922699; EP1130022; EP1323419; EP1422218; EP1433778; EP1586583; EP1707200; GB1464774; US2002052422; US2002198378; US2003083267; US2003144342; US2003220508; US2004002542; US2004059120; US2004063771; US2004171653; US2004248765; US2005004043; US2005113368 ChEBI

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