| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2011 | 20 | Yes |
Popular Name: 4-[4-[(1S,3R)-3-methoxycyclohexyl]-1,4-diazepan-1-yl]butan-1-amine 4-[4-[(1S,3R)-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) | 0.99 | 4.98 | -85.85 | 4 | 4 | 2 | 45 | 285.476 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.99 | 2.96 | -42.35 | 3 | 4 | 1 | 43 | 284.468 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.99 | 4.78 | -98.44 | 4 | 4 | 2 | 45 | 285.476 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.99 | 6.82 | -188.62 | 5 | 4 | 3 | 46 | 286.484 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
