| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2010 | 34 | 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) | 4.55 | 12.4 | -41.47 | 1 | 9 | 1 | 96 | 485.948 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.55 | 11.3 | -21.69 | 0 | 9 | 0 | 95 | 484.94 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.55 | 13.07 | -93.19 | 2 | 9 | 2 | 97 | 486.956 | 7 | ↓ |
