UCSF

ZINC08972399

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 30 No

Popular Name: methyl 4-{3-(2-furoyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate methyl 4-{3-(2-furoyl)-4-hydroxy…

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Other Names:

MFCD04021215

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) 1.06 4.28 -66.52 1 9 -1 129 414.39 10 ↓
Mid Mid (pH 6-8) 0.48 5.68 -19.44 1 9 0 123 415.398 10 ↓
Mid Mid (pH 6-8) 1.51 4.55 -26.25 2 9 0 127 415.398 9 ↓

Activity (Go SEA)

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