| 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) | 4.14 | 10.25 | -57.4 | 0 | 6 | -1 | 73 | 512.424 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.14 | 12.51 | -74.16 | 1 | 6 | 0 | 74 | 513.432 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.14 | 11.62 | -49.46 | 2 | 6 | 1 | 71 | 514.44 | 7 | ↓ |
