| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 35 | 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) | 3.55 | 10.9 | -76.25 | 1 | 8 | 0 | 93 | 482.577 | 12 | ↓ |
| Hi High (pH 8-9.5) | 3.55 | 8.36 | -58.58 | 0 | 8 | -1 | 91 | 481.569 | 12 | ↓ |
| Mid Mid (pH 6-8) | 4.00 | 10.41 | -48.38 | 2 | 8 | 1 | 90 | 483.585 | 11 | ↓ |
| Mid Mid (pH 6-8) | 2.97 | 1.42 | -50.71 | 1 | 8 | 1 | 86 | 483.585 | 12 | ↓ |
