UCSF

ZINC13563988

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 33 No

Popular Name: (5S)-1-(2-diethylaminoethyl)-4-(4-ethoxybenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-5H-pyrrol-2-one (5S)-1-(2-diethylaminoethyl)-4-(…

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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) 3.65 10.41 -68.76 1 7 0 83 452.551 11 ↓
Hi High (pH 8-9.5) 3.65 8.21 -58.71 0 7 -1 82 451.543 11 ↓
Mid Mid (pH 6-8) 4.10 9.26 -55.1 2 7 1 81 453.559 10 ↓

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