UCSF

ZINC13552609

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 32 No

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

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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) 2.58 6.66 -61.17 0 7 -1 82 435.5 8 ↓
Mid Mid (pH 6-8) 3.03 8.98 -47.09 2 7 1 81 437.516 7 ↓
Mid Mid (pH 6-8) 2.58 8.98 -73.61 1 7 0 83 436.508 8 ↓

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