| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 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) | 4.44 | 12.56 | -72.94 | 1 | 6 | 0 | 74 | 454.542 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.44 | 10.01 | -55.23 | 0 | 6 | -1 | 73 | 453.534 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.86 | 2.06 | -48.32 | 1 | 6 | 1 | 68 | 455.55 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.89 | 12.32 | -46.32 | 2 | 6 | 1 | 71 | 455.55 | 9 | ↓ |
