| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 12th, 2007 | 39 | 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) | 5.05 | 13.89 | -73.58 | 1 | 8 | 0 | 93 | 538.685 | 15 | ↓ |
| Hi High (pH 8-9.5) | 5.05 | 11.68 | -58.51 | 0 | 8 | -1 | 91 | 537.677 | 15 | ↓ |
| Mid Mid (pH 6-8) | 5.05 | 13.55 | -46.03 | 2 | 8 | 1 | 90 | 539.693 | 15 | ↓ |
| Mid Mid (pH 6-8) | 4.47 | 2.25 | -49.07 | 1 | 8 | 1 | 86 | 539.693 | 15 | ↓ |
