| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2011 | 20 | Yes |
Popular Name: (2S)-2-(cyclopropylamino)-4-(2-ethylbenzimidazol-1-yl)butanenitrile (2S)-2-(cyclopropylamino)-4-(2-e…
| 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) | 2.35 | 7.99 | -12.94 | 1 | 4 | 0 | 54 | 268.364 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.35 | 8.27 | -33.4 | 2 | 4 | 1 | 55 | 269.372 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.35 | 8.92 | -63.12 | 2 | 4 | 1 | 58 | 269.372 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.35 | 9.21 | -107.4 | 3 | 4 | 2 | 59 | 270.38 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
