UCSF

ZINC08742874

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 35 No

Popular Name: 4-(4-butoxy-3-methylbenzoyl)-5-(4-tert-butylphenyl)-3-hydroxy-1-(2-methoxyethyl)-1,5-dihydro-2H-pyrrol-2-one 4-(4-butoxy-3-methylbenzoyl)-5-(…

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Other Names:

MFCD03305118

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) 5.94 12.59 -58.95 0 6 -1 79 478.609 11 ↓
Mid Mid (pH 6-8) 5.36 1.59 -12.33 0 6 0 72 479.617 11 ↓
Lo Low (pH 4.5-6) 5.94 11.78 -12.56 1 6 0 76 479.617 11 ↓

Activity (Go SEA)

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