| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 20 | Yes |
Popular Name: (1S,3R)-1-[(3-imidazol-1-ylpropylamino)methyl]-N,N,3-trimethyl-cyclohexanamine (1S,3R)-1-[(3-imidazol-1-ylpropy…
| 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) | 1.71 | 10.23 | -129 | 3 | 4 | 2 | 39 | 280.46 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.71 | 10.74 | -192.98 | 4 | 4 | 3 | 40 | 281.468 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.71 | 8.09 | -48.51 | 2 | 4 | 1 | 38 | 279.452 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.71 | 8.6 | -96.72 | 3 | 4 | 2 | 39 | 280.46 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
