| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 27th, 2006 | 21 | Yes |
Popular Name: 3-(2,5-dimethylphenyl)-7-pentyl-6-thia-1,4,8-triazabicyclo[3.3.0]octa-2,4,7-triene 3-(2,5-dimethylphenyl)-7-pentyl-…
| 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) | 5.05 | 11.82 | -9.54 | 0 | 3 | 0 | 30 | 299.443 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.05 | 12.05 | -25.05 | 1 | 3 | 1 | 31 | 300.451 | 5 | ↓ |
