| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 15 | Yes |
Popular Name: (1S,2R)-2-(2-imidazol-1-ylethylamino)cyclopentanecarbonitrile (1S,2R)-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) | 0.83 | 7.14 | -50.81 | 2 | 4 | 1 | 58 | 205.285 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.83 | 5.95 | -9.23 | 1 | 4 | 0 | 54 | 204.277 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.83 | 6.46 | -34.06 | 2 | 4 | 1 | 55 | 205.285 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.83 | 7.65 | -103.35 | 3 | 4 | 2 | 59 | 206.293 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
