In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 19 | No |
Popular Name: 2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]benzonitrile 2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a…
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) | 1.91 | 7.96 | -11.52 | 0 | 4 | 0 | 61 | 252.273 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.