| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 25 | No |
Popular Name: N,N-diethyl-N'-[(1S,2R)-1-methyl-2-(4-methylpiperazin-1-yl)-2-(2-thienyl)ethyl]oxamide N,N-diethyl-N'-[(1S,2R)-1-methyl…
| 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) | 1.25 | 6.8 | -40.21 | 2 | 6 | 1 | 57 | 367.539 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 4.32 | -5.15 | 1 | 6 | 0 | 56 | 366.531 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 6.17 | -34.56 | 2 | 6 | 1 | 57 | 367.539 | 7 | ↓ |
