| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 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) | 2.00 | 4.97 | -11.27 | 2 | 6 | 0 | 76 | 336.326 | 3 | ↓ |
| Ref Reference (pH 7) | 2.00 | 5.27 | -12.91 | 2 | 6 | 0 | 76 | 336.326 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.19 | 2.62 | -44.5 | 1 | 6 | -1 | 82 | 335.318 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.19 | 2.33 | -42.97 | 1 | 6 | -1 | 82 | 335.318 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.