UCSF

ZINC17124157

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 35 No

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

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Other Names:

MFCD03294632

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) 3.53 7.56 -64.43 1 8 -1 108 482.553 11 ↓
Lo Low (pH 4.5-6) 3.53 6.74 -20.17 2 8 0 106 483.561 11 ↓

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