UCSF

ZINC08438658

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 32 No

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

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Other Names:

MFCD05884259

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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) 1.34 -1.58 -59.57 2 8 1 93 438.504 8 ↓
Mid Mid (pH 6-8) 0.76 -1.68 -71.68 1 8 1 90 438.504 8 ↓
Lo Low (pH 4.5-6) 1.79 -1.84 -120.92 3 8 2 94 439.512 7 ↓
Lo Low (pH 4.5-6) 0.76 -1.56 -123.44 2 8 2 91 439.512 8 ↓

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