UCSF

ZINC06406668

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2006 27 No

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

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Other Names:

MFCD03779382

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) 1.98 4.87 -62.47 1 6 -1 90 386.449 8 ↓
Lo Low (pH 4.5-6) 1.98 4.05 -16.37 2 6 0 87 387.457 8 ↓

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