| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 26 | 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) | 3.43 | 7.44 | -67.63 | 4 | 6 | 1 | 84 | 359.494 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.43 | 8.66 | -101.8 | 3 | 6 | 0 | 87 | 358.486 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.43 | 7.95 | -117.22 | 5 | 6 | 2 | 85 | 360.502 | 8 | ↓ |
