UCSF

ZINC01110083

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 26 No

Popular Name: 1-(2-dimethylaminoethyl)-3-hydroxy-4-[(5-methyl-2-furyl)carbonyl]-5-(2-pyridyl)-5H-pyrrol-2-one 1-(2-dimethylaminoethyl)-3-hydro…

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Annotations

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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) 0.72 0.45 -46.95 2 7 1 88 356.402 6 ↓
Mid Mid (pH 6-8) 0.13 0.26 -54.66 1 7 1 84 356.402 6 ↓
Lo Low (pH 4.5-6) 0.13 0.93 -112.94 2 7 2 86 357.41 6 ↓
Lo Low (pH 4.5-6) 1.16 0.73 -112.37 3 7 2 89 357.41 5 ↓

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