| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 15th, 2007 | 19 | Yes |
Popular Name: 3-(4-isopropoxyphenyl)-7-methyl-6-thia-1,4,8-triazabicyclo[3.3.0]octa-2,4,7-triene 3-(4-isopropoxyphenyl)-7-methyl-…
| 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) | 2.88 | 7.76 | -12.28 | 0 | 4 | 0 | 39 | 273.361 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.88 | 8.21 | -28.08 | 1 | 4 | 1 | 41 | 274.369 | 3 | ↓ |
