UCSF

ZINC09243938

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 32 No

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

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Other Names:

MFCD04007320

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) 2.04 6.03 -66.34 1 8 -1 112 432.408 5 ↓
Mid Mid (pH 6-8) 2.49 -0.52 -19.51 2 8 0 109 433.416 4 ↓
Mid Mid (pH 6-8) 1.46 -1.92 -16.66 1 8 0 106 433.416 5 ↓

Activity (Go SEA)

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