| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 25th, 2008 | 32 | 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) | 2.38 | 8.56 | -42.1 | 4 | 7 | 1 | 91 | 477.054 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.38 | 8.09 | -14.36 | 3 | 7 | 0 | 90 | 476.046 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.38 | 8.03 | -14.09 | 3 | 7 | 0 | 90 | 476.046 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.38 | 9.22 | -54.41 | 4 | 7 | 1 | 95 | 477.054 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.38 | 9.69 | -116.43 | 5 | 7 | 2 | 96 | 478.062 | 7 | ↓ |
