| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 16 | Yes |
Popular Name: (2S)-2-(cyclopropylamino)-3-(2-propylimidazol-1-yl)propanenitrile (2S)-2-(cyclopropylamino)-3-(2-p…
| 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) | 1.08 | 6.3 | -34.59 | 2 | 4 | 1 | 55 | 219.312 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.08 | 6.72 | -9.21 | 1 | 4 | 0 | 54 | 218.304 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.08 | 7.47 | -108.52 | 3 | 4 | 2 | 59 | 220.32 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
