| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 19 | Yes |
Popular Name: (1S)-2-(4-isopropylpiperazin-1-yl)-N-methyl-1-phenyl-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) | 2.27 | 7.66 | -93.46 | 3 | 3 | 2 | 24 | 263.429 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.27 | 5.44 | -35.5 | 2 | 3 | 1 | 23 | 262.421 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.27 | 3.23 | -2.16 | 1 | 3 | 0 | 19 | 261.413 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.27 | 5.74 | -33.12 | 2 | 3 | 1 | 20 | 262.421 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.27 | 7.21 | -121.48 | 3 | 3 | 2 | 24 | 263.429 | 5 | ↓ |
