| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2008 | 8 | 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) | 1.10 | 2.63 | -36.69 | 4 | 2 | 1 | 43 | 117.216 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.10 | 2.07 | -2.42 | 3 | 2 | 0 | 38 | 116.208 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.10 | 1.87 | -40.54 | 4 | 2 | 1 | 40 | 117.216 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.