UCSF

ZINC04114993

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 30 No

Popular Name: 5-(3-ethoxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-4-(4-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one 5-(3-ethoxyphenyl)-3-hydroxy-1-(…

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Other Names:

MFCD04148042

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) 3.49 9.65 -57.11 0 6 -1 79 408.474 9 ↓
Mid Mid (pH 6-8) 3.94 -0.44 -26.72 1 6 0 76 409.482 8 ↓
Mid Mid (pH 6-8) 2.91 -0.21 -19.34 0 6 0 72 409.482 9 ↓

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