| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2011 | 16 | Yes |
| 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) | 2.79 | 6.59 | -98.93 | 4 | 2 | 2 | 33 | 226.408 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.79 | 5.23 | -36.33 | 3 | 2 | 1 | 29 | 225.4 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.79 | 5.65 | -36.23 | 3 | 2 | 1 | 29 | 225.4 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
