| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 20 | Yes |
Popular Name: (2S)-1-(azepan-1-yl)-2-[[(1R,2R,4R)-2,4-dimethylcyclohexyl]amino]propan-1-one (2S)-1-(azepan-1-yl)-2-[[(1R,2R,…
| 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) | 3.35 | 8.88 | -37.01 | 2 | 3 | 1 | 37 | 281.464 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.35 | 8.08 | -7.12 | 1 | 3 | 0 | 32 | 280.456 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
