UCSF

ZINC67954675

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 21 Yes

Popular Name: 2-tert-butyl-6-(2-methylsulfanylpyrimidin-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine 2-tert-butyl-6-(2-methylsulfanyl…

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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) 2.85 7.84 -8.57 0 5 0 55 301.419 3 ↓
Lo Low (pH 4.5-6) 2.85 8.32 -33.11 1 5 1 56 302.427 3 ↓

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

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