| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 20 | Yes |
Popular Name: (1S)-1-(1-adamantyl)-N-[(2-methyl-1H-imidazol-4-yl)methyl]ethanamine (1S)-1-(1-adamantyl)-N-[(2-methy…
| 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) | 3.08 | 8.02 | -37.23 | 3 | 3 | 1 | 45 | 274.432 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.08 | 7.14 | -6.35 | 2 | 3 | 0 | 41 | 273.424 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.08 | 8.45 | -107.88 | 4 | 3 | 2 | 47 | 275.44 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
