UCSF

ZINC20234081

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 36 No

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

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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) 3.10 8.33 -60.86 0 8 -1 91 493.58 10 ↓
Mid Mid (pH 6-8) 3.10 10.68 -72.21 1 8 0 93 494.588 10 ↓
Lo Low (pH 4.5-6) 3.10 9.85 -54.51 2 8 1 90 495.596 10 ↓

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