| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 20 | Yes |
Popular Name: (1S)-2-(4-isopropylpiperazin-1-yl)-N-methyl-1-(o-tolyl)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) | 2.68 | 8.08 | -94.43 | 3 | 3 | 2 | 24 | 277.456 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.68 | 5.88 | -35.5 | 2 | 3 | 1 | 23 | 276.448 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.68 | 3.67 | -2.32 | 1 | 3 | 0 | 19 | 275.44 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.68 | 6.2 | -32.87 | 2 | 3 | 1 | 20 | 276.448 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.68 | 7.62 | -121.93 | 3 | 3 | 2 | 24 | 277.456 | 5 | ↓ |
