| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 38 | No |
None
None
| 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) | 6.02 | 14.02 | -43.55 | 2 | 5 | 1 | 58 | 503.622 | 6 | ↓ |
| Hi High (pH 8-9.5) | 6.02 | 12.53 | -44.33 | 0 | 5 | -1 | 60 | 501.606 | 6 | ↓ |
| Mid Mid (pH 6-8) | 6.02 | 14.79 | -28.61 | 1 | 5 | 0 | 61 | 502.614 | 6 | ↓ |
| Mid Mid (pH 6-8) | 6.02 | 11.77 | -9.68 | 1 | 5 | 0 | 57 | 502.614 | 6 | ↓ |
| Mid Mid (pH 6-8) | 6.02 | 14.03 | -46.56 | 2 | 5 | 1 | 58 | 503.622 | 6 | ↓ |
![7-[(4-benzylpiperazino)methyl]-2-(4-phenylbenzylidene)coumaran-3-one](http://zinc12.docking.org/img/rings/549952.gif)
