| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2010 | 19 | Yes |
Popular Name: 2-[(2R)-1,4-dimethylpiperazin-2-yl]-N-methyl-N-[(3-methyl-2-thienyl)methyl]ethanamine 2-[(2R)-1,4-dimethylpiperazin-2-…
| 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) | 2.20 | 7.67 | -97.52 | 2 | 3 | 2 | 12 | 283.485 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.20 | 2.96 | -3.35 | 0 | 3 | 0 | 10 | 281.469 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.20 | 5.28 | -37.76 | 1 | 3 | 1 | 11 | 282.477 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.20 | 7.69 | -110.3 | 2 | 3 | 2 | 12 | 283.485 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.20 | 5.28 | -34.54 | 1 | 3 | 1 | 11 | 282.477 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.20 | 7.61 | -101.73 | 2 | 3 | 2 | 12 | 283.485 | 5 | ↓ |
