| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 21 | Yes |
Popular Name: N-[[2-(1-adamantyl)-1H-imidazol-4-yl]methyl]-2-methyl-propan-1-amine N-[[2-(1-adamantyl)-1H-imidazol-…
| 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) | 3.86 | 8.87 | -35.75 | 3 | 3 | 1 | 45 | 288.459 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.86 | 7.63 | -4.79 | 2 | 3 | 0 | 41 | 287.451 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.86 | 9.22 | -107.68 | 4 | 3 | 2 | 47 | 289.467 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
