| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 23rd, 2005 | 30 | 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) | 2.77 | 3.69 | -11.91 | 3 | 8 | 0 | 115 | 404.426 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 2.69 | -11.1 | 3 | 8 | 0 | 115 | 404.426 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.77 | 3.63 | -57.2 | 4 | 8 | 1 | 117 | 405.434 | 5 | ↓ |
