| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2007 | 36 | Yes |
| 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) | 4.71 | 6.97 | -15.63 | 3 | 8 | 0 | 108 | 514.022 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.69 | 7.53 | -50.54 | 1 | 8 | -1 | 107 | 513.014 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.69 | 7.13 | -54.35 | 1 | 8 | -1 | 107 | 513.014 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.71 | 7.95 | -41.89 | 2 | 8 | -1 | 111 | 513.014 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.71 | 7.72 | -52.68 | 2 | 8 | -1 | 111 | 513.014 | 10 | ↓ |
