| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 9th, 2004 | 25 | No |
Popular Name: (3S)-1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]pyrrolidine-2,5-quinone (3S)-1-phenyl-3-[(5-phenyl-1,3,4…
| 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) | 2.55 | 5.56 | -17.74 | 0 | 6 | 0 | 76 | 351.387 | 4 | ↓ |
| Ref Reference (pH 7) | 2.55 | 5.56 | -17.72 | 0 | 6 | 0 | 76 | 351.387 | 4 | ↓ |
| Ref Reference (pH 7) | 4.06 | 1.63 | -12.38 | 2 | 6 | 0 | 84 | 351.387 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.06 | 2.4 | -50.91 | 1 | 6 | -1 | 87 | 350.379 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.06 | 2.39 | -60.38 | 1 | 6 | -1 | 87 | 350.379 | 4 | ↓ |
