| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 2nd, 2006 | 25 | 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) | 2.89 | 6.69 | -15.71 | 2 | 8 | 0 | 116 | 333.307 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.35 | 4.63 | -47.88 | 1 | 8 | -1 | 119 | 332.299 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.71 | 7.05 | -94.76 | 4 | 8 | 2 | 115 | 335.323 | 4 | ↓ |
