| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2009 | 31 | 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) | 0.46 | 7.05 | -63.73 | 1 | 7 | -1 | 96 | 454.553 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.74 | 9.83 | -35.69 | 2 | 7 | -1 | 91 | 454.553 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 9.86 | -12.57 | 2 | 7 | 0 | 85 | 455.561 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.46 | 7.02 | -61.93 | 1 | 7 | -1 | 92 | 454.553 | 4 | ↓ |
