| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 4th, 2008 | 20 | No |
Popular Name: N-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]benzamide N-[(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) | 0.78 | 5.87 | -14.9 | 1 | 5 | 0 | 66 | 272.304 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.86 | 4.23 | -59.59 | 0 | 5 | -1 | 73 | 271.296 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.86 | 4.3 | -61.75 | 0 | 5 | -1 | 73 | 271.296 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.86 | 4.21 | -59.67 | 0 | 5 | -1 | 73 | 271.296 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
