| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 20 | Yes |
Popular Name: (2S)-2-cyclopropyl-2-(ethylamino)-3-(2-methylbenzimidazol-1-yl)propanenitrile (2S)-2-cyclopropyl-2-(ethylamino…
| 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) | 2.46 | 7.37 | -11.2 | 1 | 4 | 0 | 54 | 268.364 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.46 | 7.81 | -27.62 | 2 | 4 | 1 | 55 | 269.372 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.46 | 8.71 | -98.82 | 3 | 4 | 2 | 59 | 270.38 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
