| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2007 | 35 | 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) | 3.91 | 10.78 | -63.27 | 0 | 7 | -1 | 92 | 471.533 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.33 | 0.27 | -23.77 | 0 | 7 | 0 | 85 | 472.541 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.91 | 0.55 | -51.1 | 2 | 7 | 1 | 90 | 473.549 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.33 | 0.38 | -59.21 | 1 | 7 | 1 | 87 | 473.549 | 9 | ↓ |
