UCSF

ZINC00703181

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 42 No

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

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Other Names:

MFCD04088634

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) 3.29 -0.33 -19.36 1 9 0 107 564.594 9 ↓
Mid Mid (pH 6-8) 2.71 -0.51 -24.32 0 9 0 104 564.594 9 ↓
Lo Low (pH 4.5-6) 3.73 -0.61 -67.51 2 9 1 108 565.602 8 ↓
Lo Low (pH 4.5-6) 2.71 -0.4 -69.61 1 9 1 105 565.602 9 ↓

Activity (Go SEA)

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