UCSF

ZINC01789198

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 17 No

Popular Name: 1-(4-Butyl-phenyl)-pyrrole-2,5-dione 1-(4-Butyl-phenyl)-pyrrole-2,5-d…

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CAS Number: 65833-02-5

Other Names:

MFCD02056565

Download: MOL2 SDF SMILES Flexibase

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) 2.92 2.05 -9.1 0 3 0 39 229.279 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 40 - 44 Enamine Building Blocks
MP 41 - 43 Enamine Building Blocks
MP 41...43 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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

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