| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2011 | 18 | Yes |
Popular Name: 2-[4-[(1S,3S)-3-methoxycyclohexyl]-1,4-diazepan-1-yl]ethanamine 2-[4-[(1S,3S)-3-methoxycyclohexy…
| 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) | 0.45 | 3.56 | -89.52 | 4 | 4 | 2 | 45 | 257.422 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.45 | 1.54 | -43.12 | 3 | 4 | 1 | 43 | 256.414 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.45 | 3.35 | -117.68 | 4 | 4 | 2 | 45 | 257.422 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
