| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 12th, 2006 | 16 | Yes |
Popular Name: 7-(4-methoxyphenyl)-4-thia-1,2,6-triazabicyclo[3.3.0]octa-2,5,7-triene 7-(4-methoxyphenyl)-4-thia-1,2,6…
| 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) | 2.43 | 5.49 | -13.5 | 0 | 4 | 0 | 39 | 231.28 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.43 | 5.92 | -31.72 | 1 | 4 | 1 | 41 | 232.288 | 2 | ↓ |
