| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2011 | 19 | Yes |
Popular Name: 3-[4-[(1S,3R)-3-methoxycyclohexyl]-1,4-diazepan-1-yl]propan-1-amine 3-[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) | 0.72 | 4.19 | -89.04 | 4 | 4 | 2 | 45 | 271.449 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.72 | 2.17 | -42.89 | 3 | 4 | 1 | 43 | 270.441 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.72 | 6.04 | -199.29 | 5 | 4 | 3 | 46 | 272.457 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
