| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2005 | 23 | Yes |
Popular Name: 7-phenyl-4-(3-pyridylmethylsulfanyl)-5,6,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,9-tetraene 7-phenyl-4-(3-pyridylmethylsulfa…
| 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) | 3.45 | 0.68 | -14.09 | 0 | 5 | 0 | 55 | 319.393 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.45 | 0.79 | -49.61 | 1 | 5 | 1 | 57 | 320.401 | 4 | ↓ |
