| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2006 | 22 | Yes |
Popular Name: 4-butylsulfanyl-7-(p-tolyl)-3,5,7,8-tetrazabicyclo[4.3.0]nona-3,5,9-trien-2-one 4-butylsulfanyl-7-(p-tolyl)-3,5,…
| 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) | 4.63 | 7.3 | -46.13 | 0 | 5 | -1 | 67 | 313.406 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.17 | 8.69 | -13.63 | 1 | 5 | 0 | 64 | 314.414 | 5 | ↓ |
