| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 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) | 3.20 | 11.59 | -76.13 | 1 | 8 | 0 | 91 | 474.561 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.62 | 12.59 | -84.77 | 2 | 8 | 2 | 87 | 476.577 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.65 | 12.66 | -89.93 | 3 | 8 | 2 | 90 | 476.577 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.62 | 12.17 | -54.85 | 1 | 8 | 1 | 85 | 475.569 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.65 | 12.24 | -46.38 | 2 | 8 | 1 | 89 | 475.569 | 9 | ↓ |
