| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 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) | 4.71 | 13.1 | -68.43 | 1 | 6 | 0 | 74 | 490.625 | 11 | ↓ |
| Hi High (pH 8-9.5) | 4.71 | 10.77 | -59.56 | 0 | 6 | -1 | 73 | 489.617 | 11 | ↓ |
| Mid Mid (pH 6-8) | 5.16 | 11.96 | -55.31 | 2 | 6 | 1 | 71 | 491.633 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.13 | 12.98 | -54.68 | 1 | 6 | 1 | 68 | 491.633 | 11 | ↓ |
