| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 29th, 2009 | 30 | 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) | 3.57 | 9.8 | -44.07 | 1 | 6 | -1 | 83 | 443.48 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.64 | 8.9 | -83.7 | 0 | 6 | -2 | 89 | 442.472 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.11 | 10.22 | -19.57 | 2 | 6 | 0 | 80 | 444.488 | 3 | ↓ |
