In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 19 | No |
Popular Name: N-methyl-3-oxo-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]butanamide N-methyl-3-oxo-N-[(4-oxo-3H-thie…
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) | -0.21 | 5.74 | -26.32 | 1 | 6 | 0 | 83 | 279.321 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.25 | 2.97 | -71.93 | 0 | 6 | -1 | 86 | 278.313 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.54 | 4.6 | -58.25 | 1 | 6 | -1 | 89 | 278.313 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.99 | 1.83 | -132.86 | 0 | 6 | -2 | 92 | 277.305 | 3 | ↓ |