In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 23 | Yes |
Popular Name: 2-[(isopropylamino)methyl]-5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one 2-[(isopropylamino)methyl]-5-(4-…
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) | 2.86 | 6.45 | -52.66 | 3 | 5 | 1 | 72 | 330.433 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.32 | 4.12 | -44.42 | 2 | 5 | 0 | 75 | 329.425 | 5 | ↓ |