| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 21 | Yes |
Popular Name: (1S,2R)-1-[5-(1-adamantyl)-1H-imidazol-2-yl]-2-methyl-butan-1-amine (1S,2R)-1-[5-(1-adamantyl)-1H-im…
| 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) | 2.29 | 7.76 | -117.86 | 5 | 3 | 2 | 58 | 289.467 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 7.22 | -5.04 | 3 | 3 | 0 | 55 | 287.451 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.29 | 7.14 | -49.67 | 4 | 3 | 1 | 56 | 288.459 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.29 | 7.49 | -29.51 | 4 | 3 | 1 | 56 | 288.459 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
