| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 15 | Yes |
Popular Name: (3R,4S)-1-(2-imidazol-1-ylethyl)-4-methyl-piperidin-3-amine (3R,4S)-1-(2-imidazol-1-ylethyl)…
| 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) | -0.23 | 5.48 | -44.97 | 3 | 4 | 1 | 48 | 209.317 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.23 | 3.56 | -47.47 | 3 | 4 | 1 | 49 | 209.317 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.23 | 4.07 | -85.57 | 4 | 4 | 2 | 50 | 210.325 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.23 | 5.78 | -125.14 | 4 | 4 | 2 | 50 | 210.325 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.23 | 5.99 | -98.24 | 4 | 4 | 2 | 50 | 210.325 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.23 | 6.29 | -191.31 | 5 | 4 | 3 | 51 | 211.333 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
