In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 20 | No |
Popular Name: 7-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]heptanoic 7-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,…
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) | 2.30 | 8.71 | -50.8 | 0 | 5 | -1 | 78 | 280.344 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.30 | 6.68 | -10.4 | 1 | 5 | 0 | 75 | 281.352 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.30 | 6.67 | -10.35 | 1 | 5 | 0 | 75 | 281.352 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.30 | 6.73 | -11.28 | 1 | 5 | 0 | 75 | 281.352 | 7 | ↓ |