| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 36 | 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) | 3.27 | 8.39 | -63.44 | 0 | 8 | -1 | 85 | 492.596 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.27 | 10.64 | -77.79 | 1 | 8 | 0 | 87 | 493.604 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 3.27 | 9.91 | -56.92 | 2 | 8 | 1 | 84 | 494.612 | 10 | ↓ |
