| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2007 | 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) | 5.66 | 16.64 | -21.21 | 1 | 6 | 0 | 72 | 462.34 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.67 | 17.34 | -48.65 | 1 | 6 | -1 | 73 | 461.332 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.67 | 17.6 | -14.17 | 2 | 6 | 0 | 75 | 462.34 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.66 | 16.98 | -41.93 | 2 | 6 | 1 | 74 | 463.348 | 4 | ↓ |
