| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 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) | 4.15 | 6.46 | -9.72 | 2 | 5 | 0 | 70 | 370.206 | 0 | ↓ |
| Ref Reference (pH 7) | 3.81 | 7.64 | -11.59 | 1 | 5 | 0 | 66 | 370.206 | 2 | ↓ |
| Ref Reference (pH 7) | 3.81 | 7.64 | -11.56 | 1 | 5 | 0 | 66 | 370.206 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.57 | 6.65 | -48.4 | 1 | 5 | -1 | 73 | 369.198 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.