| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 18 | Yes |
Popular Name: (2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-3-yl)methanamine (2-piperazin-1-yl-5,6,7,8-tetrah…
| 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) | 0.97 | 4.86 | -190.07 | 6 | 4 | 3 | 62 | 249.382 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.97 | 3.53 | -97.69 | 5 | 4 | 2 | 57 | 248.374 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.97 | 3.12 | -46.64 | 4 | 4 | 1 | 56 | 247.366 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.97 | 4.44 | -108.13 | 5 | 4 | 2 | 60 | 248.374 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
