UCSF

ZINC32609552

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 34 No

Popular Name: (2S)-1-(2-diethylaminoethyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(2-methoxybenzoyl)-2H-pyrrol-5-one (2S)-1-(2-diethylaminoethyl)-2-(…

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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) 2.82 10.34 -76.71 1 8 0 93 468.55 11 ↓
Hi High (pH 8-9.5) 2.82 8.02 -65.97 0 8 -1 91 467.542 11 ↓
Lo Low (pH 4.5-6) 2.82 9.52 -54.57 2 8 1 90 469.558 11 ↓

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