| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 21 | Yes |
Popular Name: [1-(4-ethyl-4-methyl-1-piperidyl)-3-isoquinolyl]methanamine [1-(4-ethyl-4-methyl-1-piperidyl…
| 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) | 3.81 | 8.03 | -42.36 | 3 | 3 | 1 | 44 | 284.427 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.81 | 7.63 | -5.19 | 2 | 3 | 0 | 42 | 283.419 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.81 | 8.06 | -22.02 | 3 | 3 | 1 | 43 | 284.427 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
