| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 4th, 2008 | 23 | 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) | 4.29 | 6.81 | -10.32 | 1 | 4 | 0 | 66 | 346.839 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.29 | 7.93 | -40.71 | 0 | 4 | -1 | 68 | 345.831 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.29 | 8.9 | -50.21 | 0 | 4 | -1 | 68 | 345.831 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
