UCSF

ZINC49236825

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 21 Yes

Popular Name: 7-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-2,5,6-trimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(1S)-2-imidazol-1-yl-1-methyl…

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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) 0.96 8.75 -10.79 2 6 0 75 284.367 3 ↓
Mid Mid (pH 6-8) 0.96 9.27 -37.28 3 6 1 76 285.375 3 ↓
Lo Low (pH 4.5-6) 0.96 9.68 -83.16 4 6 2 77 286.383 3 ↓

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

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