| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 16th, 2011 | 32 | 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) | 4.46 | 9.68 | -11.65 | 1 | 7 | 0 | 80 | 455.58 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.46 | 10.38 | -11.17 | 1 | 7 | 0 | 80 | 455.58 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 0.80 | 10.68 | -37.47 | 2 | 7 | 1 | 80 | 456.588 | 10 | ↓ |
