UCSF

ZINC09471299

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 31 No

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

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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) 2.26 6.92 -44.48 0 7 -1 88 426.42 7 ↓
Mid Mid (pH 6-8) 2.70 6.59 -26.51 1 7 0 85 427.428 6 ↓
Mid Mid (pH 6-8) 1.67 7.63 -19.05 0 7 0 82 427.428 7 ↓

Activity (Go SEA)

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