| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 24 | No |
| 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) | 6.44 | 10.01 | -8.22 | 1 | 3 | 0 | 45 | 381.259 | 2 | ↓ |
| Hi High (pH 8-9.5) | 6.90 | 8.27 | -48.78 | 0 | 3 | -1 | 48 | 380.251 | 2 | ↓ |
| Hi High (pH 8-9.5) | 6.90 | 7.59 | -48.79 | 0 | 3 | -1 | 48 | 380.251 | 2 | ↓ |
