| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 17 | 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) | 1.81 | 7.66 | -97.81 | 4 | 2 | 2 | 32 | 232.371 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.81 | 7.26 | -38.42 | 3 | 2 | 1 | 30 | 231.363 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.81 | 5.46 | -43.2 | 3 | 2 | 1 | 31 | 231.363 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
