UCSF

ZINC20227719

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 26 No

Popular Name: (5S)-1-(2-dimethylaminoethyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-5-(2-pyridyl)-5H-pyrrol-2-one (5S)-1-(2-dimethylaminoethyl)-3-…

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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 7.46 -79.27 1 7 0 91 355.394 6 ↓
Hi High (pH 8-9.5) 0.72 4.92 -67.11 0 7 -1 90 354.386 6 ↓
Lo Low (pH 4.5-6) 0.72 7.83 -98.57 2 7 1 92 356.402 6 ↓

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