| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 12th, 2006 | 17 | No |
Popular Name: 9-(2-pyridyl)-3-thioxo-2,4,8,9-tetrazabicyclo[4.3.0]nona-7,10-dien-5-one 9-(2-pyridyl)-3-thioxo-2,4,8,9-t…
| 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) | 1.05 | 4.65 | -41.5 | 1 | 6 | -1 | 76 | 244.259 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.32 | 5.23 | -10.51 | 2 | 6 | 0 | 79 | 245.267 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.78 | 3.85 | -41.38 | 1 | 6 | -1 | 82 | 244.259 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.32 | 5.56 | -42.89 | 3 | 6 | 1 | 81 | 246.275 | 1 | ↓ |
