UCSF

ZINC08441623

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 35 No

Popular Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-5-(2,4-dimethoxyphenyl)-3-hydroxy-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-pyrrol-2-one 4-(2,3-dihydro-1,4-benzodioxin-6…

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Other Names:

MFCD05155310

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) 2.30 6.82 -63.21 0 9 -1 107 480.493 7 ↓
Mid Mid (pH 6-8) 2.75 -2.29 -31.36 1 9 0 103 481.501 6 ↓
Mid Mid (pH 6-8) 1.72 -2.13 -24.13 0 9 0 100 481.501 7 ↓

Activity (Go SEA)

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