| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 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) | 4.40 | 12.59 | -68.53 | 1 | 8 | 0 | 93 | 528.605 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.40 | 10.26 | -58.99 | 0 | 8 | -1 | 91 | 527.597 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.84 | 11.46 | -56.15 | 2 | 8 | 1 | 90 | 529.613 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.81 | 12.44 | -58.29 | 1 | 8 | 1 | 87 | 529.613 | 10 | ↓ |
