| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2010 | 17 | No |
| 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) | 2.75 | 8.47 | -40.39 | 2 | 2 | 1 | 16 | 251.419 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.75 | 6.94 | -3.47 | 1 | 2 | 0 | 15 | 250.411 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![Phenyl-[3-(1,4-thiazepan-4-yl)propyl]amine](http://zinc12.docking.org/img/rings/69322.gif)