UCSF

ZINC38600736

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 20 No

Popular Name: 2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)isoindoline-1,3-dione 2-(7H-pyrrolo[2,3-d]pyrimidin-4-…

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CAS Number: 741686-49-7

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) 1.96 6.94 -19.16 1 6 0 81 264.244 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Rings

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

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