| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2011 | 20 | Yes |
Popular Name: 2-[(2S)-1-cinnolin-4-yl-2-piperidyl]-N-methyl-ethanamine 2-[(2S)-1-cinnolin-4-yl-2-piperi…
| 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) | 2.50 | 7.02 | -41.96 | 2 | 4 | 1 | 46 | 271.388 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.50 | 7.15 | -83.5 | 3 | 4 | 2 | 47 | 272.396 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.50 | 7.17 | -86.69 | 3 | 4 | 2 | 47 | 272.396 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
