| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 11th, 2009 | 33 | 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) | 4.33 | 11.11 | -47.38 | 1 | 7 | 0 | 83 | 491.371 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.33 | 8.8 | -35.55 | 0 | 7 | -1 | 82 | 490.363 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.33 | 9.98 | -53.26 | 2 | 7 | 1 | 81 | 492.379 | 8 | ↓ |
