| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2010 | 16 | 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) | 1.11 | 3.07 | -12.03 | 2 | 5 | 0 | 71 | 218.212 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 1.13 | -45.42 | 1 | 5 | -1 | 74 | 217.204 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.17 | 1.56 | -46.87 | 1 | 5 | -1 | 78 | 217.204 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
