UCSF

ZINC08926895

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 35 No

Popular Name: 3-hydroxy-4-(4-isopropoxy-3-methyl-benzoyl)-1-(3-morpholinopropyl)-5-(4-pyridyl)-5H-pyrrol-2-one 3-hydroxy-4-(4-isopropoxy-3-meth…

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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) 2.41 8.75 -50.24 2 8 1 93 480.585 9 ↓
Mid Mid (pH 6-8) 1.82 9.45 -59.03 1 8 1 90 480.585 9 ↓
Lo Low (pH 4.5-6) 2.41 9.03 -113.21 3 8 2 95 481.593 9 ↓
Lo Low (pH 4.5-6) 1.82 9.73 -128.03 2 8 2 91 481.593 9 ↓

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