| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 19th, 2010 | 21 | Yes |
Popular Name: 2-bromo-6-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]phenol 2-bromo-6-[[3-[cyclohexyl(methyl…
| 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) | 4.20 | 6.87 | -36.05 | 3 | 3 | 1 | 37 | 356.328 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.20 | 7.63 | -52.12 | 2 | 3 | 0 | 40 | 355.32 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.20 | 6.72 | -31.92 | 2 | 3 | 0 | 43 | 355.32 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.20 | 9.02 | -79.75 | 3 | 3 | 1 | 44 | 356.328 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.20 | 5.97 | -42.23 | 3 | 3 | 1 | 40 | 356.328 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![Benzyl-[3-(cyclohexylamino)propyl]amine](http://zinc12.docking.org/img/rings/68897.gif)