UCSF

ZINC15885023

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2008 34 No

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

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Other Names:

MFCD04147970

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) 1.88 5.56 -60.77 1 9 -1 122 462.434 6 ↓
Lo Low (pH 4.5-6) 1.88 4.81 -18.72 2 9 0 119 463.442 6 ↓

Activity (Go SEA)

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