UCSF

ZINC20219600

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 31 No

Popular Name: (5S)-1-(2-diethylaminoethyl)-3-hydroxy-5-(3-nitrophenyl)-4-(pyridine-4-carbonyl)-5H-pyrrol-2-one (5S)-1-(2-diethylaminoethyl)-3-h…

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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) 1.81 9.75 -64.83 1 9 0 124 424.457 9 ↓
Hi High (pH 8-9.5) 1.81 7.53 -49.79 0 9 -1 122 423.449 9 ↓
Lo Low (pH 4.5-6) 1.81 8.92 -55.46 2 9 1 121 425.465 9 ↓

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