UCSF

ZINC05918671

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 40 No

Popular Name: methyl 2-[3-(4-butoxybenzoyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate methyl 2-[3-(4-butoxybenzoyl)-2-…

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Other Names:

MFCD03861382

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) 4.56 0.96 -18.75 1 10 0 124 566.632 12 ↓
Mid Mid (pH 6-8) 3.98 0.8 -23.2 0 10 0 121 566.632 12 ↓

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