UCSF

ZINC19938389

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 34 No

Popular Name: 3-hydroxy-4-(4-methylbenzoyl)-1-[2-(4-morpholinyl)ethyl]-5-(4-propoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-4-(4-methylbenzoyl)-1-…

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Other Names:

MFCD03498858

Download: MOL2 SDF SMILES Flexibase

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) 3.64 8.63 -58.86 0 7 -1 82 463.554 9 ↓
Mid Mid (pH 6-8) 3.64 10.98 -72.83 1 7 0 83 464.562 9 ↓
Lo Low (pH 4.5-6) 3.64 10.15 -55.06 2 7 1 81 465.57 9 ↓

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