| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 16 | Yes |
Popular Name: [(3S)-1-(3-imidazol-1-ylpropyl)-3-piperidyl]methanamine [(3S)-1-(3-imidazol-1-ylpropyl)-…
| 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) | -0.13 | 7.17 | -169.11 | 5 | 4 | 3 | 51 | 225.36 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.13 | 4.44 | -49.74 | 3 | 4 | 1 | 49 | 223.344 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.13 | 6.3 | -44.81 | 3 | 4 | 1 | 48 | 223.344 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.13 | 6.66 | -114.13 | 4 | 4 | 2 | 50 | 224.352 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.13 | 4.96 | -82.58 | 4 | 4 | 2 | 50 | 224.352 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
