UCSF

ZINC09412211

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 31 No

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

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Other Names:

MFCD04018583

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) 2.02 7.38 -64.32 0 8 -1 105 420.397 5 ↓
Mid Mid (pH 6-8) 2.02 6.56 -19.22 1 8 0 102 421.405 5 ↓
Mid Mid (pH 6-8) -0.03 0.78 -45.92 1 7 1 75 331.396 4 ↓
Mid Mid (pH 6-8) -0.03 -1.54 -13 0 7 0 74 330.388 4 ↓

Activity (Go SEA)

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