UCSF

ZINC16735783

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 33 No

Popular Name: (5S)-5-(3-butoxyphenyl)-1-(3-dimethylaminopropyl)-3-hydroxy-4-(4-methylbenzoyl)-5H-pyrrol-2-one (5S)-5-(3-butoxyphenyl)-1-(3-dim…

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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) 4.60 13.14 -77.5 1 6 0 74 450.579 11 ↓
Mid Mid (pH 6-8) 5.04 12.02 -56.92 2 6 1 71 451.587 10 ↓
Mid Mid (pH 6-8) 4.01 13.02 -57.82 1 6 1 68 451.587 11 ↓

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