UCSF

ZINC66054319

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 23 Yes

Popular Name: Methyl 7-tosyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate Methyl 7-tosyl-7H-pyrrolo[2,3-d]…

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CAS Numbers: 1261365-63-2 , [1261365-63-2]

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) 2.05 6.98 -12.19 0 7 0 91 331.353 4 ↓

Vendor Notes

Note Type Comments Provided By
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.