| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2007 | 12 | 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) | 1.14 | 4.25 | -12.82 | 1 | 4 | 0 | 54 | 178.22 | 2 | ↓ |
| Ref Reference (pH 7) | 1.14 | 6.23 | -11.88 | 1 | 4 | 0 | 54 | 178.22 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.14 | 5.98 | -42.8 | 0 | 4 | -1 | 52 | 177.212 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.14 | 4.09 | -42.78 | 0 | 4 | -1 | 52 | 177.212 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.