In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2004 | 26 | No |
Popular Name: (5E)-6-keto-1-(o-tolyl)-5-piperonylidene-2-thioxo-pyrimidin-4-olate (5E)-6-keto-1-(o-tolyl)-5-pipero…
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) | 2.94 | 7.72 | -47.46 | 0 | 6 | -1 | 76 | 365.39 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.48 | 8.79 | -14.07 | 1 | 6 | 0 | 73 | 366.398 | 2 | ↓ |