| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 21 | Yes |
Popular Name: (1S)-1-(1-adamantyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine (1S)-1-(1-adamantyl)-N-methyl-1-…
| 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) | 3.66 | 9.39 | -39.66 | 2 | 3 | 1 | 34 | 288.459 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.66 | 8.76 | -3.74 | 1 | 3 | 0 | 30 | 287.451 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.66 | 8.76 | -26.43 | 2 | 3 | 1 | 31 | 288.459 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.66 | 9.75 | -110.01 | 3 | 3 | 2 | 36 | 289.467 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
