| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 21 | Yes |
Popular Name: (1S)-2-(4-isopropylpiperazin-1-yl)-1-(4-propylphenyl)ethanamine (1S)-2-(4-isopropylpiperazin-1-y…
| 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) | 1.33 | 8.14 | -99.18 | 4 | 3 | 2 | 35 | 291.483 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.33 | 5.91 | -41.04 | 3 | 3 | 1 | 34 | 290.475 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.33 | 5.12 | -2.03 | 2 | 3 | 0 | 32 | 289.467 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.33 | 7.35 | -35.83 | 3 | 3 | 1 | 34 | 290.475 | 6 | ↓ |
