| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2008 | 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) | 3.33 | 12.21 | -16.61 | 0 | 6 | 0 | 60 | 404.514 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.33 | 12.64 | -44.35 | 1 | 6 | 1 | 62 | 405.522 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.33 | 12.46 | -41.47 | 1 | 6 | 1 | 62 | 405.522 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.33 | 12.89 | -111.62 | 2 | 6 | 2 | 63 | 406.53 | 6 | ↓ |
