| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2008 | 19 | No |
Popular Name: 2-(5-chloro-2-hydroxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione 2-(5-chloro-2-hydroxyphenyl)-3a,…
| 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) | 2.59 | 5.08 | -9.22 | 1 | 4 | 0 | 58 | 277.707 | 1 | ↓ |
| Ref Reference (pH 7) | 2.59 | 5.08 | -8.81 | 1 | 4 | 0 | 58 | 277.707 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.59 | 5.85 | -47.83 | 0 | 4 | -1 | 60 | 276.699 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.59 | 5.85 | -47.88 | 0 | 4 | -1 | 60 | 276.699 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
