| 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) | 1.90 | 8.75 | -77.09 | 1 | 7 | 0 | 87 | 415.877 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.90 | 6.21 | -68.86 | 0 | 7 | -1 | 86 | 414.869 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.35 | 7.39 | -55.87 | 2 | 7 | 1 | 84 | 416.885 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.32 | 8.59 | -59.37 | 1 | 7 | 1 | 81 | 416.885 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.90 | 8.15 | -102.2 | 3 | 7 | 2 | 85 | 417.893 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.32 | 8.83 | -115.23 | 2 | 7 | 2 | 82 | 417.893 | 7 | ↓ |
