| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 35 | 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) | 3.78 | 9.58 | -63.1 | 0 | 7 | -1 | 82 | 477.581 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.78 | 11.85 | -75.24 | 1 | 7 | 0 | 83 | 478.589 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.78 | 10.97 | -46.68 | 2 | 7 | 1 | 81 | 479.597 | 9 | ↓ |
