| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 23 | Yes |
Popular Name: 8-phenyl-3-(2-pyridylmethylsulfanyl)-1,2,7-triazabicyclo[4.3.0]nona-2,4,6,8-tetraene 8-phenyl-3-(2-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) | 3.61 | 10.04 | -11.9 | 0 | 4 | 0 | 43 | 318.405 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.61 | 10.47 | -30.78 | 1 | 4 | 1 | 44 | 319.413 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.61 | 10.3 | -41.97 | 1 | 4 | 1 | 44 | 319.413 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.61 | 10.73 | -76.83 | 2 | 4 | 2 | 46 | 320.421 | 4 | ↓ |
