| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2008 | 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) | 4.33 | 14.13 | -7.48 | 1 | 5 | 0 | 56 | 451.617 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.85 | 13.49 | -38.73 | 0 | 5 | -1 | 62 | 450.609 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.67 | 12.55 | -34.85 | 1 | 5 | 0 | 62 | 451.617 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.33 | 12.48 | -33.12 | 1 | 5 | 1 | 56 | 452.625 | 2 | ↓ |
