| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 16 | Yes |
Popular Name: (2R)-2-amino-2-cyclopropyl-3-[(2S)-2-methyl-1,4-oxazepan-4-yl]propanenitrile (2R)-2-amino-2-cyclopropyl-3-[(2…
| 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) | 0.95 | 1.49 | -7.72 | 2 | 4 | 0 | 62 | 223.32 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.95 | 3.49 | -44.57 | 3 | 4 | 1 | 63 | 224.328 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
