| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 32 | 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) | 3.20 | 9.57 | -72.96 | 1 | 7 | 0 | 83 | 477.344 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.20 | 7.04 | -60.06 | 0 | 7 | -1 | 82 | 476.336 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.65 | 9.27 | -51.64 | 2 | 7 | 1 | 81 | 478.352 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.62 | 10.31 | -53.54 | 1 | 7 | 1 | 77 | 478.352 | 6 | ↓ |
