| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2008 | 21 | No |
Popular Name: 4-chloro-N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzenecarboxamide 4-chloro-N-(1,3-dioxo-1,3,3a,4,7…
Find On: PubMed — Wikipedia — Google
CAS Number: 478040-23-2
| 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) | 0.97 | 6.32 | -12.72 | 1 | 5 | 0 | 66 | 304.733 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.05 | 4.66 | -51.92 | 0 | 5 | -1 | 73 | 303.725 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.05 | 4.66 | -51.85 | 0 | 5 | -1 | 73 | 303.725 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
