| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 15 | Yes |
Popular Name: [(2S,3S)-1-(1H-imidazol-4-ylmethyl)-3-methyl-2-piperidyl]methanamine [(2S,3S)-1-(1H-imidazol-4-ylmeth…
| 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) | -0.09 | 3.3 | -99.16 | 5 | 4 | 2 | 61 | 210.325 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.09 | 2.54 | -37.93 | 4 | 4 | 1 | 60 | 209.317 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.09 | 4.91 | -209.97 | 6 | 4 | 3 | 62 | 211.333 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
