| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 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) | 4.54 | 12.71 | -70.46 | 1 | 6 | 0 | 74 | 468.981 | 11 | ↓ |
| Hi High (pH 8-9.5) | 4.54 | 10.49 | -55.42 | 0 | 6 | -1 | 73 | 467.973 | 11 | ↓ |
| Mid Mid (pH 6-8) | 4.99 | 11.6 | -60.54 | 2 | 6 | 1 | 71 | 469.989 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.96 | 12.62 | -63.64 | 1 | 6 | 1 | 68 | 469.989 | 11 | ↓ |
