| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 19 | Yes |
Popular Name: 2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-methyl-N-[(3-methyl-2-thienyl)methyl]ethanamine 2-[(2S)-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 | 7.98 | -98.34 | 2 | 3 | 2 | 12 | 283.485 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.20 | 3.09 | -3.28 | 0 | 3 | 0 | 10 | 281.469 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.20 | 5.5 | -38.05 | 1 | 3 | 1 | 11 | 282.477 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.20 | 7.93 | -111.78 | 2 | 3 | 2 | 12 | 283.485 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.20 | 5.48 | -34.75 | 1 | 3 | 1 | 11 | 282.477 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.20 | 7.87 | -102.22 | 2 | 3 | 2 | 12 | 283.485 | 5 | ↓ |
