| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 14th, 2006 | 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) | 3.42 | 7.39 | -10.65 | 2 | 7 | 0 | 119 | 431.54 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.51 | 3.08 | -118.34 | 3 | 7 | 2 | 119 | 433.556 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.42 | 7.21 | -51.05 | 3 | 7 | 1 | 121 | 432.548 | 5 | ↓ |
