| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2004 | 21 | Yes |
Popular Name: 2-(4-pyridylmethylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile 2-(4-pyridylmethylthio)-6,7,8,9-…
| 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) | 3.55 | 9.3 | -8.41 | 0 | 3 | 0 | 50 | 295.411 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.55 | 9.81 | -88.97 | 2 | 3 | 2 | 52 | 297.427 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.55 | 9.53 | -40.33 | 1 | 3 | 1 | 51 | 296.419 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.55 | 9.58 | -36.21 | 1 | 3 | 1 | 51 | 296.419 | 3 | ↓ |
