UCSF

ZINC05409058

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 30 No

Popular Name: methyl 4-[4-hydroxy-1-(2-hydroxypropyl)-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate methyl 4-[4-hydroxy-1-(2-hydroxy…

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Other Names:

MFCD03044361

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) 2.73 6.84 -63.67 1 7 -1 107 408.43 7 ↓
Mid Mid (pH 6-8) 3.17 -0.38 -16.47 2 7 0 104 409.438 6 ↓
Mid Mid (pH 6-8) 2.14 -0.34 -20.04 1 7 0 100 409.438 7 ↓
Lo Low (pH 4.5-6) 2.73 6.02 -19.45 2 7 0 104 409.438 7 ↓

Activity (Go SEA)

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