| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 24th, 2010 | 24 | 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) | 1.70 | 1.59 | -53.71 | 2 | 7 | -1 | 112 | 393.169 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.70 | 2.51 | -104.11 | 1 | 7 | -2 | 115 | 392.161 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.70 | 0.69 | -14.02 | 3 | 7 | 0 | 109 | 394.177 | 4 | ↓ |
