| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 15 | Yes |
Popular Name: 2-[(3S)-1-(1H-imidazol-4-ylmethyl)-3-piperidyl]ethanamine 2-[(3S)-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) | -0.18 | 4.73 | -95.26 | 5 | 4 | 2 | 61 | 210.325 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.18 | 2.47 | -48.54 | 4 | 4 | 1 | 60 | 209.317 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.18 | 5.2 | -171.99 | 6 | 4 | 3 | 62 | 211.333 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.18 | 2.93 | -83.99 | 5 | 4 | 2 | 61 | 210.325 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
