| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 15 | Yes |
Popular Name: (2S)-2-amino-3-(azepan-1-yl)-2-cyclopropyl-propanenitrile (2S)-2-amino-3-(azepan-1-yl)-2-c…
| 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) | 1.88 | 5.2 | -39.64 | 3 | 3 | 1 | 54 | 208.329 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.88 | 4.32 | -6.81 | 2 | 3 | 0 | 53 | 207.321 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
