UCSF

ZINC20232417

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 34 No

Popular Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-[3-(4-morpholinyl)propyl]-5-phenyl-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) 2.03 6.52 -62.11 0 8 -1 91 463.51 7 ↓
Mid Mid (pH 6-8) 2.03 8.86 -74.37 1 8 0 93 464.518 7 ↓
Lo Low (pH 4.5-6) 2.03 8.04 -51.04 2 8 1 90 465.526 7 ↓

Activity (Go SEA)

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