| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 21 | Yes |
Popular Name: (2S)-2-methyl-3-[4-(2-quinolyl)piperazin-1-yl]propan-1-amine (2S)-2-methyl-3-[4-(2-quinolyl)p…
| 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) | 1.83 | 7.85 | -113.41 | 4 | 4 | 2 | 48 | 286.423 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.83 | 8.16 | -176.92 | 5 | 4 | 3 | 49 | 287.431 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.83 | 6.23 | -79.66 | 4 | 4 | 2 | 48 | 286.423 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.83 | 5.91 | -50.04 | 3 | 4 | 1 | 47 | 285.415 | 4 | ↓ |
