| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 25 | Yes |
Popular Name: 2-[(4-methylpiperazin-1-yl)methyl]-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one 2-[(4-methylpiperazin-1-yl)methy…
| 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) | 2.72 | 8.27 | -46.21 | 2 | 5 | 1 | 53 | 355.487 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.72 | 8.12 | -50.33 | 2 | 5 | 1 | 53 | 355.487 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.72 | 5.89 | -11.59 | 1 | 5 | 0 | 52 | 354.479 | 3 | ↓ |
