UCSF

ZINC18203694

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 35 No

Popular Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-5-(2,4-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-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) 2.23 7.84 -77.63 1 9 0 102 482.533 9 ↓
Mid Mid (pH 6-8) 1.64 10.03 -49.89 1 9 1 96 483.541 9 ↓
Mid Mid (pH 6-8) 2.67 7.89 -48.49 2 9 1 99 483.541 8 ↓

Activity (Go SEA)

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