| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 15th, 2013 | 17 | 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) | -5.09 | -0.74 | -82.87 | 4 | 8 | -1 | 164 | 242.211 | 7 | ↓ |
| Hi High (pH 8-9.5) | -5.09 | -1.02 | -102.62 | 3 | 8 | -2 | 163 | 241.203 | 7 | ↓ |
| Hi High (pH 8-9.5) | -5.09 | -2.2 | -104.15 | 3 | 8 | -2 | 163 | 241.203 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.