| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 16 | Yes |
Popular Name: 2-[(2S)-1-(2-imidazol-1-ylethyl)-2-piperidyl]ethanamine 2-[(2S)-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) | -0.01 | 5.19 | -94.66 | 4 | 4 | 2 | 50 | 224.352 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.01 | 6.36 | -116.14 | 4 | 4 | 2 | 50 | 224.352 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.01 | 6.87 | -185.88 | 5 | 4 | 3 | 51 | 225.36 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.01 | 4.68 | -51.24 | 3 | 4 | 1 | 49 | 223.344 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
