| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 14 | Yes |
Popular Name: (2S)-2-cyclopropyl-3-imidazol-1-yl-2-(methylamino)propanenitrile (2S)-2-cyclopropyl-3-imidazol-1-…
| 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) | 0.49 | 4.87 | -34.7 | 2 | 4 | 1 | 55 | 191.258 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.49 | 4.36 | -13.75 | 1 | 4 | 0 | 54 | 190.25 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.49 | 6.06 | -107.19 | 3 | 4 | 2 | 59 | 192.266 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
