| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2008 | 28 | 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) | 2.82 | 12.19 | -7.82 | 1 | 5 | 0 | 56 | 409.536 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.34 | 11.57 | -39.08 | 0 | 5 | -1 | 62 | 408.528 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 10.71 | -35.71 | 1 | 5 | 0 | 62 | 409.536 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.82 | 10.56 | -34.05 | 1 | 5 | 1 | 56 | 410.544 | 1 | ↓ |
