UCSF

ZINC18116538

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 27 No

Popular Name: (E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[4-(2-pyridyl)piperazin-1-yl]prop-2-en-1-one (E)-3-(5-chloro-2,3-dihydro-1,4-…

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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) 3.02 9.53 -39.94 1 6 1 56 386.859 3 ↓
Mid Mid (pH 6-8) 3.02 9.23 -11.98 0 6 0 55 385.851 3 ↓

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

No pre-computed analogs available. Try a structural similarity search.