UCSF

ZINC08383841

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2006 38 No

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

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Other Names:

MFCD04088657

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) 3.44 10.62 -59.45 0 9 -1 107 524.59 12 ↓
Mid Mid (pH 6-8) 3.89 -0.8 -31.14 1 9 0 103 525.598 11 ↓
Mid Mid (pH 6-8) 2.86 -0.56 -26.03 0 9 0 100 525.598 12 ↓

Activity (Go SEA)

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