| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 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) | 4.34 | 10.38 | -58.47 | 0 | 6 | -1 | 79 | 462.547 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.78 | 10.15 | -12.84 | 1 | 6 | 0 | 76 | 463.555 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.75 | 10.56 | -11.88 | 0 | 6 | 0 | 73 | 463.555 | 9 | ↓ |
