| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 18th, 2006 | 31 | 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) | 3.86 | 13.33 | -12.42 | 0 | 5 | 0 | 78 | 426.553 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.02 | 13.5 | -115.33 | 0 | 5 | -2 | 89 | 424.537 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.02 | 12.42 | -61.9 | 1 | 5 | -1 | 87 | 425.545 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.44 | 13.43 | -44.88 | 0 | 5 | -1 | 84 | 425.545 | 6 | ↓ |
