UCSF

ZINC37718762

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 21 Yes

Popular Name: 2,5,6-trimethyl-7-[2-(3-pyridyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine 2,5,6-trimethyl-7-[2-(3-pyridyl)…

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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) 1.48 8.06 -11.12 2 5 0 70 281.363 3 ↓
Lo Low (pH 4.5-6) 1.48 8.49 -30.38 3 5 1 71 282.371 3 ↓

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

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