| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 33 | 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) | 1.88 | 5.75 | -60.33 | 0 | 8 | -1 | 95 | 450.515 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.88 | 8.02 | -71.27 | 1 | 8 | 0 | 96 | 451.523 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 1.88 | 7.26 | -53.68 | 2 | 8 | 1 | 93 | 452.531 | 9 | ↓ |
