| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 11th, 2008 | 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) | 2.18 | 10.12 | -27.36 | 3 | 9 | 0 | 133 | 486.557 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.70 | 8.63 | -19.44 | 2 | 9 | 0 | 133 | 486.557 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.51 | 9.21 | -17.95 | 2 | 9 | 0 | 133 | 486.557 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.70 | 8.91 | -53.39 | 3 | 9 | 1 | 135 | 487.565 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.13 | 9.72 | -54.87 | 3 | 9 | 1 | 135 | 487.565 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.51 | 9.5 | -52.22 | 3 | 9 | 1 | 135 | 487.565 | 7 | ↓ |
