UCSF

ZINC09271668

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 38 No

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

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Other Names:

MFCD03299853

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) 4.68 12.8 -72.86 1 8 0 93 524.658 14 ↓
Hi High (pH 8-9.5) 4.68 10.48 -58.66 0 8 -1 91 523.65 14 ↓
Mid Mid (pH 6-8) 5.12 2.85 -45.98 2 8 1 89 525.666 13 ↓

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