| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 8th, 2006 | 30 | 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) | 2.46 | 8.27 | -12.32 | 3 | 8 | 0 | 105 | 469.343 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.64 | 8.74 | -49.33 | 4 | 8 | 1 | 109 | 470.351 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.46 | 8.31 | -45.21 | 4 | 8 | 1 | 106 | 470.351 | 6 | ↓ |
