| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 14 | Yes |
Popular Name: (3R,4S)-1-(1H-imidazol-4-ylmethyl)-4-methyl-piperidin-3-amine (3R,4S)-1-(1H-imidazol-4-ylmethy…
| 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) | -0.29 | 1.89 | -88.41 | 5 | 4 | 2 | 61 | 196.298 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.29 | 1.75 | -46.22 | 4 | 4 | 1 | 60 | 195.29 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.29 | 4.47 | -194.28 | 6 | 4 | 3 | 62 | 197.306 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
