UCSF

ZINC49559804

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 21 Yes

Popular Name: 5,6-dimethyl-7-(1-propyl-4-piperidyl)pyrrolo[2,3-d]pyrimidin-4-amine 5,6-dimethyl-7-(1-propyl-4-piper…

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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) 2.12 9.79 -40.14 3 5 1 61 288.419 3 ↓
Hi High (pH 8-9.5) 2.12 7.56 -8.41 2 5 0 60 287.411 3 ↓
Lo Low (pH 4.5-6) 2.12 10.17 -90.14 4 5 2 62 289.427 3 ↓

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

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