UCSF

ZINC35745519

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 22 Yes

Popular Name: 2-[[[(2R)-2-hydroxybutyl]-isopropyl-amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one 2-[[[(2R)-2-hydroxybutyl]-isopro…

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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) 2.16 5.68 -48.66 3 5 1 70 324.47 6 ↓
Hi High (pH 8-9.5) 2.62 3.22 -45.32 2 5 0 74 323.462 6 ↓
Hi High (pH 8-9.5) 2.16 3.79 -10.29 2 5 0 69 323.462 6 ↓

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