| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2012 | 31 | Yes |
None
| 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) | 4.65 | 2.93 | -13.66 | 2 | 8 | 0 | 103 | 419.437 | 4 | ↓ |
| Ref Reference (pH 7) | 4.19 | 5.48 | -15.97 | 2 | 8 | 0 | 103 | 419.437 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.19 | 6.26 | -50.46 | 1 | 8 | -1 | 105 | 418.429 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.65 | 3.7 | -48.5 | 1 | 8 | -1 | 106 | 418.429 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.