| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 12 | 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) | 0.79 | 1.3 | -62.05 | 4 | 5 | 1 | 94 | 169.16 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.79 | 1.88 | -44.2 | 2 | 5 | -1 | 95 | 167.144 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.79 | 2.28 | -73.26 | 3 | 5 | 0 | 97 | 168.152 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.79 | 0.9 | -8.31 | 3 | 5 | 0 | 92 | 168.152 | 2 | ↓ |
