| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 29 | Yes |
| 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) | 3.72 | 9.16 | -53.47 | 3 | 5 | 1 | 66 | 409.579 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.72 | 7.95 | -9.87 | 2 | 5 | 0 | 61 | 408.571 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.18 | 6.71 | -42.72 | 2 | 5 | 0 | 69 | 408.571 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.72 | 11.45 | -98.81 | 4 | 5 | 2 | 67 | 410.587 | 5 | ↓ |
![Benzyl-[(cyclohexylamino)methyl]BLAHone](http://zinc12.docking.org/img/rings/73002.gif)
