UCSF

ZINC20219312

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 32 No

Popular Name: 5-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one 5-(4-chlorophenyl)-4-(2,3-dihydr…

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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) 2.86 9.89 -72.94 1 7 0 83 456.926 7 ↓
Lo Low (pH 4.5-6) 2.86 9.08 -50.35 2 7 1 81 457.934 7 ↓

Activity (Go SEA)

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