| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2009 | 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) | 0.16 | 3.96 | -51.64 | 3 | 8 | -1 | 128 | 449.361 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.17 | 2.6 | -47.97 | 4 | 8 | 0 | 132 | 450.369 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.35 | 0.87 | -73.94 | 3 | 8 | -1 | 139 | 449.361 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.16 | 4.96 | -55.08 | 4 | 8 | 0 | 132 | 450.369 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.35 | 2.55 | -93.08 | 3 | 8 | -1 | 139 | 449.361 | 6 | ↓ |
