| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 19th, 2008 | 31 | 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) | 6.01 | 13.4 | -30.35 | 3 | 5 | 1 | 72 | 470.405 | 7 | ↓ |
| Hi High (pH 8-9.5) | 5.88 | 13.09 | -18.73 | 2 | 5 | 0 | 73 | 469.397 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.88 | 13.28 | -30.83 | 3 | 5 | 1 | 74 | 470.405 | 6 | ↓ |
![2-benzyl-1-[(1-benzyl-2-keto-indolin-3-ylidene)amino]isothiourea](http://zinc12.docking.org/img/rings/145808.gif)
