| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 21 | Yes |
Popular Name: (1S)-1-(2,5-dimethylphenyl)-2-(4-isopropylpiperazin-1-yl)-N-methyl-ethanamine (1S)-1-(2,5-dimethylphenyl)-2-(4…
| 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) | 3.10 | 8.81 | -95 | 3 | 3 | 2 | 24 | 291.483 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.10 | 6.62 | -35.75 | 2 | 3 | 1 | 23 | 290.475 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.10 | 4.39 | -2.22 | 1 | 3 | 0 | 19 | 289.467 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.10 | 6.69 | -32.8 | 2 | 3 | 1 | 20 | 290.475 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.10 | 8.37 | -122.68 | 3 | 3 | 2 | 24 | 291.483 | 5 | ↓ |
