| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 16 | Yes |
Popular Name: (3R,4S)-1-(3-imidazol-1-ylpropyl)-4-methyl-piperidin-3-amine (3R,4S)-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) | 0.04 | 6.76 | -91.2 | 4 | 4 | 2 | 50 | 224.352 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.04 | 4.33 | -48.82 | 3 | 4 | 1 | 49 | 223.344 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.04 | 6.25 | -43.89 | 3 | 4 | 1 | 48 | 223.344 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.04 | 7.06 | -182.42 | 5 | 4 | 3 | 51 | 225.36 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
