| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 26th, 2008 | 26 | No |
Popular Name: 3-[3-(4-ethylpiperazin-1-yl)propyl]-2-thioxo-1H-benzothiopheno[2,3-e]pyrimidin-4-one 3-[3-(4-ethylpiperazin-1-yl)prop…
| 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) | 2.67 | 10 | -39.76 | 2 | 5 | 1 | 45 | 389.57 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.13 | 7.28 | -42.54 | 0 | 5 | -1 | 47 | 387.554 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.13 | 9.59 | -54.45 | 1 | 5 | 0 | 49 | 388.562 | 5 | ↓ |
