| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 27th, 2006 | 18 | Yes |
Popular Name: 2-methyl-3-phenyl-7-propyl-6-thia-1,4,8-triazabicyclo[3.3.0]octa-2,4,7-triene 2-methyl-3-phenyl-7-propyl-6-thi…
| 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) | 3.38 | 8.96 | -11.05 | 0 | 3 | 0 | 30 | 257.362 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.38 | 9.36 | -23.64 | 1 | 3 | 1 | 31 | 258.37 | 3 | ↓ |
