| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 36 | 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) | 3.99 | 11.59 | -57.8 | 3 | 8 | 1 | 84 | 489.644 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.99 | 9.62 | -21.55 | 2 | 8 | 0 | 82 | 488.636 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.99 | 11.58 | -53.1 | 3 | 8 | 1 | 84 | 489.644 | 8 | ↓ |
