| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 35 | 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) | 4.29 | 12.13 | -74.04 | 1 | 7 | 0 | 83 | 478.589 | 13 | ↓ |
| Hi High (pH 8-9.5) | 4.29 | 9.82 | -57.49 | 0 | 7 | -1 | 82 | 477.581 | 13 | ↓ |
| Mid Mid (pH 6-8) | 4.74 | 10.94 | -59.88 | 2 | 7 | 1 | 81 | 479.597 | 12 | ↓ |
| Mid Mid (pH 6-8) | 3.71 | 11.96 | -63.06 | 1 | 7 | 1 | 77 | 479.597 | 13 | ↓ |
