| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2009 | 33 | Yes |
| 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) | 3.45 | 15.85 | -45.16 | 1 | 7 | 1 | 57 | 449.623 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.45 | 13.49 | -11.28 | 0 | 7 | 0 | 56 | 448.615 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.45 | 16.09 | -94.99 | 2 | 7 | 2 | 58 | 450.631 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.45 | 16.05 | -101.64 | 2 | 7 | 2 | 58 | 450.631 | 3 | ↓ |
