UCSF

ZINC66442686

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 17 No

Popular Name: 4-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)butanoic acid 4-(1,3-dioxo-1,3-dihydro-2H-pyrr…

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CAS Numbers: , 1322604-76-1

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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) -0.10 4.46 -51.46 0 6 -1 92 233.203 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Rings

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

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