In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 16th, 2008 | 26 | Yes |
Popular Name: 2-benzyl-5-methyl-N-[(1S)-1-methylbutyl]-4-oxo-3H-thieno[5,4-d]pyrimidine-6-carboxamide 2-benzyl-5-methyl-N-[(1S)-1-meth…
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) | 4.39 | 8.91 | -14.48 | 2 | 5 | 0 | 75 | 369.49 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.84 | 7.84 | -42.99 | 1 | 5 | -1 | 78 | 368.482 | 6 | ↓ |