| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 32 | 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) | 4.50 | 10.55 | -43.76 | 2 | 5 | 1 | 58 | 447.58 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.50 | 8.82 | -42.46 | 0 | 5 | -1 | 60 | 445.564 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.50 | 11.11 | -28.8 | 1 | 5 | 0 | 61 | 446.572 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.50 | 8.25 | -9.11 | 1 | 5 | 0 | 57 | 446.572 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.50 | 10.5 | -45.79 | 2 | 5 | 1 | 58 | 447.58 | 5 | ↓ |
![7-[(4-benzylpiperazino)methyl]-2-(2-thenylidene)coumaran-3-one](http://zinc12.docking.org/img/rings/549938.gif)
