| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 31 | 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) | 4.80 | 9.17 | -9.62 | 1 | 5 | 0 | 57 | 432.545 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.80 | 9.77 | -42.54 | 0 | 5 | -1 | 60 | 431.537 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.80 | 11.43 | -47.5 | 2 | 5 | 1 | 58 | 433.553 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.80 | 11.99 | -31.13 | 1 | 5 | 0 | 61 | 432.545 | 4 | ↓ |
![7-[(4-phenylpiperazino)methyl]-2-(2-thenylidene)coumaran-3-one](http://zinc12.docking.org/img/rings/550043.gif)
