| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 29th, 2009 | 21 | 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) | 1.46 | 0.04 | -21.91 | 3 | 6 | 0 | 106 | 326.399 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.46 | 0.79 | -95.16 | 1 | 6 | -2 | 106 | 324.383 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.46 | 0.11 | -55.51 | 2 | 6 | -1 | 108 | 325.391 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.46 | 0.72 | -47.37 | 2 | 6 | -1 | 104 | 325.391 | 5 | ↓ |
