UCSF

ZINC08441316

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 33 No

Popular Name: 4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-[3-(4-morpholinyl)propyl]-5-(3-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one 4-(1-benzofuran-2-ylcarbonyl)-3-…

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Other Names:

MFCD03509278

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Annotations

None

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) 1.85 -1.77 -45.62 2 8 1 97 448.499 7 ↓
Mid Mid (pH 6-8) 1.27 -1.94 -53.04 1 8 1 94 448.499 7 ↓
Lo Low (pH 4.5-6) 2.30 -2.04 -126.52 3 8 2 98 449.507 6 ↓
Lo Low (pH 4.5-6) 1.27 -1.83 -120.46 2 8 2 95 449.507 7 ↓

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