| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 22nd, 2006 | 21 | Yes |
Popular Name: 7-butyl-3-(3,4-dimethylphenyl)-2-methyl-6-thia-1,4,8-triazabicyclo[3.3.0]octa-2,4,7-triene 7-butyl-3-(3,4-dimethylphenyl)-2…
| 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) | 4.77 | 10.8 | -11.24 | 0 | 3 | 0 | 30 | 299.443 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.77 | 11.24 | -25.05 | 1 | 3 | 1 | 31 | 300.451 | 4 | ↓ |
