| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 13 | Yes |
Popular Name: (2S)-2-amino-2-cyclopropyl-3-imidazol-1-yl-propanenitrile (2S)-2-amino-2-cyclopropyl-3-imi…
| 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) | 0.12 | 4.13 | -11.7 | 2 | 4 | 0 | 68 | 176.223 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.12 | 4.64 | -40.68 | 3 | 4 | 1 | 69 | 177.231 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.12 | 4.89 | -119.34 | 4 | 4 | 2 | 71 | 178.239 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
