| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2007 | 33 | 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) | 2.88 | 8.76 | -74.83 | 1 | 8 | 0 | 93 | 454.523 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.88 | 6.22 | -63.12 | 0 | 8 | -1 | 91 | 453.515 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.30 | 10.46 | -47.28 | 1 | 8 | 1 | 87 | 455.531 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.33 | 8.47 | -52.95 | 2 | 8 | 1 | 90 | 455.531 | 8 | ↓ |
