| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 18 | Yes |
Popular Name: (3R)-3-(2-imidazol-1-ylethylamino)-3-phenyl-propanenitrile (3R)-3-(2-imidazol-1-ylethylamin…
| 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) | -0.08 | 7.6 | -12.07 | 1 | 4 | 0 | 54 | 240.31 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.08 | 8.84 | -58.8 | 2 | 4 | 1 | 58 | 241.318 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.08 | 9.35 | -110.6 | 3 | 4 | 2 | 59 | 242.326 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.08 | 8.11 | -33.49 | 2 | 4 | 1 | 55 | 241.318 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
