| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 24th, 2009 | 34 | 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) | 4.58 | 13.23 | -41.54 | 1 | 6 | 0 | 72 | 454.526 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.58 | 10.59 | -48.39 | 0 | 6 | -1 | 71 | 453.518 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.58 | 12.75 | -66.45 | 2 | 6 | 1 | 69 | 455.534 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.58 | 9.82 | -13.55 | 1 | 6 | 0 | 68 | 454.526 | 6 | ↓ |
