UCSF

ZINC09244106

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 29 No

Popular Name: 4-(2-furoyl)-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5-(4-hydroxy-3-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one 4-(2-furoyl)-3-hydroxy-1-[2-(2-h…

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Other Names:

MFCD04028831

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) 0.23 0.99 -75.96 2 9 -1 133 402.379 9 ↓
Mid Mid (pH 6-8) -0.35 1.86 -18.93 2 9 0 127 403.387 9 ↓
Mid Mid (pH 6-8) 0.23 1.3 -18.28 3 9 0 130 403.387 9 ↓

Activity (Go SEA)

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