UCSF

ZINC08441603

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 37 No

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

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Other Names:

MFCD04088567

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) 4.54 11.42 -60.24 0 8 -1 101 502.543 10 ↓
Mid Mid (pH 6-8) 4.99 0.33 -27.25 1 8 0 98 503.551 9 ↓
Mid Mid (pH 6-8) 3.96 0.61 -21.24 0 8 0 95 503.551 10 ↓

Activity (Go SEA)

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