| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 17 | Yes |
Popular Name: (1R,2S)-2-(2-imidazol-1-ylethylamino)cycloheptanecarbonitrile (1R,2S)-2-(2-imidazol-1-ylethyla…
| 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) | 1.84 | 7.82 | -54.23 | 2 | 4 | 1 | 58 | 233.339 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.84 | 6.94 | -9.21 | 1 | 4 | 0 | 54 | 232.331 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 8.33 | -109.9 | 3 | 4 | 2 | 59 | 234.347 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 7.45 | -35.58 | 2 | 4 | 1 | 55 | 233.339 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
