UCSF

ZINC36154253

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 23 Yes

Popular Name: 2-[(isobutylamino)methyl]-5-(o-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one 2-[(isobutylamino)methyl]-5-(o-t…

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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) 3.65 8.44 -54.73 3 4 1 62 328.461 5 ↓
Hi High (pH 8-9.5) 4.11 6.07 -43.37 2 4 0 65 327.453 5 ↓
Hi High (pH 8-9.5) 3.65 7.08 -10.2 2 4 0 58 327.453 5 ↓

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