| 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) | 4.00 | 9.89 | -58.08 | 0 | 6 | -1 | 73 | 467.973 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.00 | 12.15 | -73.36 | 1 | 6 | 0 | 74 | 468.981 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.00 | 11.26 | -47.61 | 2 | 6 | 1 | 71 | 469.989 | 7 | ↓ |
