| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2005 | 29 | 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) | 4.65 | 13.16 | -19.28 | 2 | 4 | 0 | 44 | 411.615 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.19 | 12 | -42.12 | 1 | 4 | -1 | 51 | 410.607 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.45 | -2.89 | -51.95 | 2 | 4 | 1 | 46 | 412.623 | 5 | ↓ |
![N-cyclopentyl-1-[[(3-ketocyclohexen-1-yl)amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide](http://zinc12.docking.org/img/rings/247375.gif)
