UCSF

ZINC09357241

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 34 No

Popular Name: 1-(2-diethylaminoethyl)-3-hydroxy-4-(4-isobutoxy-3-methyl-benzoyl)-5-(3-pyridyl)-5H-pyrrol-2-one 1-(2-diethylaminoethyl)-3-hydrox…

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Annotations

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Vendors

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) 3.48 11.23 -53.72 2 7 1 84 466.602 11 ↓
Mid Mid (pH 6-8) 2.90 1.25 -63.53 1 7 1 81 466.602 11 ↓
Lo Low (pH 4.5-6) 3.93 11.19 -118.78 3 7 2 85 467.61 10 ↓
Lo Low (pH 4.5-6) 2.90 1.36 -121.9 2 7 2 82 467.61 11 ↓

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