UCSF

ZINC37181178

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 Yes

Popular Name: 7-(cyclobutylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-(cyclobutylmethyl)-5,6-dimethy…

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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) 1.87 8.13 -8.99 2 4 0 57 230.315 2 ↓
Lo Low (pH 4.5-6) 1.87 8.61 -27.61 3 4 1 58 231.323 2 ↓

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

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