UCSF

ZINC40448946

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 16 Yes

Popular Name: tert-butyl 5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate tert-butyl 5H-pyrrolo[3,4-d]pyri…

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CAS Numbers: 1207175-93-6 , [1207175-93-6]

Other Names:

MFCD12407807

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) 0.71 4.82 -6.83 0 5 0 55 221.26 2 ↓

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

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