| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 30th, 2006 | 32 | Yes |
| 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) | -4.76 | -8.38 | -419.2 | 17 | 12 | 5 | 225 | 468.616 | 6 | ↓ |
| Hi High (pH 8-9.5) | -4.76 | -9.6 | -176.86 | 15 | 12 | 3 | 219 | 466.6 | 6 | ↓ |
| Hi High (pH 8-9.5) | -4.76 | -10.37 | -43.22 | 13 | 12 | 1 | 215 | 464.584 | 6 | ↓ |
| Hi High (pH 8-9.5) | -4.76 | -9.92 | -98.09 | 14 | 12 | 2 | 217 | 465.592 | 6 | ↓ |
| Mid Mid (pH 6-8) | -4.76 | -8.55 | -273.72 | 16 | 12 | 4 | 223 | 467.608 | 6 | ↓ |
