UCSF

ZINC01385753

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 22 No

Popular Name: 3-[(E)-2-oxopentylidene]-2-phenyl-1-isoindolinone 3-[(E)-2-oxopentylidene]-2-pheny…

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CAS Number: 338409-26-0

Other Names:

MFCD01316795

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) 3.80 11.02 -11.13 0 3 0 39 291.35 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 140 - 142 KeyOrganics

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Rings

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

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