| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2008 | 25 | No |
| 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) | 0.28 | 5.24 | -51.55 | 3 | 8 | 1 | 98 | 347.395 | 7 | ↓ |
| Ref Reference (pH 7) | 0.28 | 5.24 | -52.1 | 3 | 8 | 1 | 98 | 347.395 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.28 | 2.77 | -10.66 | 2 | 8 | 0 | 96 | 346.387 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.28 | 2.77 | -10.67 | 2 | 8 | 0 | 96 | 346.387 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
