| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2010 | 20 | Yes |
Popular Name: N-[[(3S)-1-(3-imidazol-1-ylpropyl)-3-piperidyl]methyl]-2-methyl-propan-1-amine N-[[(3S)-1-(3-imidazol-1-ylpropy…
| 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) | 1.62 | 11.36 | -170.62 | 4 | 4 | 3 | 40 | 281.468 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.62 | 8.62 | -44.95 | 2 | 4 | 1 | 38 | 279.452 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.62 | 9.14 | -79.45 | 3 | 4 | 2 | 39 | 280.46 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.62 | 10.84 | -113.61 | 3 | 4 | 2 | 39 | 280.46 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
