| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 14 | Yes |
Popular Name: (2S)-2-amino-2-cyclopropyl-3-[(3R)-tetrahydrofuran-3-yl]oxy-propanenitrile (2S)-2-amino-2-cyclopropyl-3-[(3…
| 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) | 0.52 | 0.92 | -9.21 | 2 | 4 | 0 | 68 | 196.25 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.52 | 1.3 | -50.69 | 3 | 4 | 1 | 70 | 197.258 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
