| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 29 | 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) | 1.39 | 7.05 | -72.37 | 1 | 7 | 0 | 87 | 399.422 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.39 | 4.51 | -63.72 | 0 | 7 | -1 | 86 | 398.414 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.83 | 5.88 | -58.17 | 2 | 7 | 1 | 84 | 400.43 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.80 | 6.88 | -57.74 | 1 | 7 | 1 | 81 | 400.43 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.83 | 6.14 | -120.07 | 3 | 7 | 2 | 85 | 401.438 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.80 | 7.13 | -116.66 | 2 | 7 | 2 | 82 | 401.438 | 7 | ↓ |
