UCSF

ZINC09244248

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 35 No

Popular Name: 5-[3-(allyloxy)phenyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-1-(2-furylmethyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one 5-[3-(allyloxy)phenyl]-4-(2,3-di…

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Other Names:

MFCD04019259

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) 3.22 8.96 -63.84 0 8 -1 101 472.473 8 ↓
Mid Mid (pH 6-8) 3.67 1.39 -18.84 1 8 0 98 473.481 7 ↓
Mid Mid (pH 6-8) 2.64 0.84 -15.05 0 8 0 95 473.481 8 ↓

Activity (Go SEA)

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