| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 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) | -0.64 | -2.48 | -49.8 | 6 | 10 | -1 | 184 | 463.85 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.38 | -1.54 | -147.25 | 5 | 10 | -2 | 187 | 462.842 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.64 | -1.49 | -103.72 | 5 | 10 | -2 | 187 | 462.842 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.38 | -0.53 | -80.55 | 7 | 10 | 0 | 186 | 464.858 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.64 | -0.44 | -53.23 | 7 | 10 | 0 | 186 | 464.858 | 2 | ↓ |
