UCSF

ZINC08926872

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 33 No

Popular Name: 4-(4-butoxy-3-methyl-benzoyl)-1-(3-dimethylaminopropyl)-3-hydroxy-5-(3-pyridyl)-5H-pyrrol-2-one 4-(4-butoxy-3-methyl-benzoyl)-1-…

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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) 3.31 10.09 -47.03 2 7 1 84 452.575 11 ↓
Mid Mid (pH 6-8) 2.73 10.76 -56.91 1 7 1 81 452.575 11 ↓
Lo Low (pH 4.5-6) 3.31 10.38 -107.05 3 7 2 85 453.583 11 ↓
Lo Low (pH 4.5-6) 2.73 11.05 -120.19 2 7 2 82 453.583 11 ↓

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