| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 17th, 2009 | 12 | 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) | 0.05 | 2.63 | -9.12 | 1 | 3 | 0 | 49 | 161.208 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.05 | 3.08 | -39.42 | 2 | 3 | 1 | 50 | 162.216 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.05 | 4 | -59.96 | 2 | 3 | 1 | 53 | 162.216 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.05 | 4.45 | -109.54 | 3 | 3 | 2 | 55 | 163.224 | 4 | ↓ |
