| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 4th, 2006 | 31 | 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) | -4.93 | -9.82 | -416.42 | 17 | 12 | 5 | 225 | 454.589 | 6 | ↓ |
| Hi High (pH 8-9.5) | -4.93 | -11.86 | -133.42 | 14 | 12 | 2 | 217 | 451.565 | 6 | ↓ |
| Hi High (pH 8-9.5) | -4.93 | -12.12 | -108.4 | 14 | 12 | 2 | 217 | 451.565 | 6 | ↓ |
| Mid Mid (pH 6-8) | -4.93 | -10.1 | -276.44 | 16 | 12 | 4 | 223 | 453.581 | 6 | ↓ |
