| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2007 | 19 | No |
Popular Name: 7-isopropyl-3-phenyl-6-thia-1,4,8-triazabicyclo[3.3.0]octa-2,4,7-triene-2-carbaldehyde 7-isopropyl-3-phenyl-6-thia-1,4,…
| 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) | 3.17 | 7.82 | -10.64 | 0 | 4 | 0 | 47 | 271.345 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.17 | 8.26 | -26.68 | 1 | 4 | 1 | 49 | 272.353 | 3 | ↓ |
