| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 22nd, 2011 | 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) | 4.34 | 7.03 | -15.14 | 3 | 5 | 0 | 65 | 457.543 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.34 | 7.69 | -60.34 | 3 | 5 | 0 | 69 | 457.543 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.34 | 7.56 | -42.92 | 2 | 5 | -1 | 67 | 456.535 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.34 | 7.16 | -66.61 | 4 | 5 | 0 | 66 | 458.551 | 7 | ↓ |
