| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 20 | Yes |
Popular Name: N-[(S)-1-adamantyl-(1-methylimidazol-2-yl)methyl]ethanamine N-[(S)-1-adamantyl-(1-methylimid…
| 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) | 3.15 | 8.59 | -38.05 | 2 | 3 | 1 | 34 | 274.432 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.15 | 7.66 | -6.73 | 1 | 3 | 0 | 30 | 273.424 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.15 | 8.12 | -26.46 | 2 | 3 | 1 | 31 | 274.432 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.15 | 9.11 | -107.5 | 3 | 3 | 2 | 36 | 275.44 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
