| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2010 | 33 | 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) | 4.48 | 9.01 | -15.41 | 2 | 7 | 0 | 88 | 445.519 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.25 | 9.29 | -52.06 | 0 | 7 | -1 | 87 | 444.511 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.25 | 8.96 | -57.84 | 0 | 7 | -1 | 87 | 444.511 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.48 | 9.97 | -40.7 | 1 | 7 | -1 | 91 | 444.511 | 8 | ↓ |
