| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 20 | Yes |
Popular Name: (1S)-1-(1-adamantyl)-1-(1-ethylimidazol-2-yl)-N-methyl-methanamine (1S)-1-(1-adamantyl)-1-(1-ethyli…
| 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 | 8.99 | -108.96 | 3 | 3 | 2 | 36 | 275.44 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.15 | 8.03 | -4.17 | 1 | 3 | 0 | 30 | 273.424 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.15 | 8.64 | -39.68 | 2 | 3 | 1 | 34 | 274.432 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.15 | 8 | -26.41 | 2 | 3 | 1 | 31 | 274.432 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
