| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2006 | 25 | Yes |
Popular Name: 4-benzyl-8-(3-pyridylmethylene)-9-thia-2,5,6-triazabicyclo[4.3.0]nona-1,4-diene-3,7-dione 4-benzyl-8-(3-pyridylmethylene)-…
| 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) | 2.38 | 6.29 | -14.31 | 0 | 6 | 0 | 77 | 348.387 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.38 | 6.58 | -58.82 | 1 | 6 | 1 | 78 | 349.395 | 3 | ↓ |
