UCSF

ZINC49235521

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 20 Yes

Popular Name: 2-[[[(1S)-2-imidazol-1-yl-1-methyl-ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[[(1S)-2-imidazol-1-yl-1-meth…

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Vendors

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) 0.88 3.49 -57.79 2 6 0 83 289.364 5 ↓
Hi High (pH 8-9.5) 0.88 2.26 -54.64 1 6 -1 79 288.356 5 ↓
Mid Mid (pH 6-8) 0.42 4.84 -50.8 3 6 1 77 290.372 5 ↓
Mid Mid (pH 6-8) 0.42 4.33 -24.96 2 6 0 76 289.364 5 ↓
Mid Mid (pH 6-8) 0.42 6.12 -60.86 3 6 1 80 290.372 5 ↓
Lo Low (pH 4.5-6) 0.42 6.63 -121.01 4 6 2 81 291.38 5 ↓

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

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