| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 36 | 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) | 4.91 | 10.13 | -54.32 | 0 | 7 | -1 | 82 | 512.026 | 11 | ↓ |
| Mid Mid (pH 6-8) | 4.91 | 12.39 | -68.43 | 1 | 7 | 0 | 83 | 513.034 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 4.91 | 11.64 | -52.94 | 2 | 7 | 1 | 81 | 514.042 | 11 | ↓ |
