| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 21 | Yes |
| 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) | 1.61 | 5.75 | -49.02 | 3 | 3 | 1 | 40 | 289.443 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 5.45 | -3.35 | 2 | 3 | 0 | 38 | 288.435 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.61 | 7.79 | -125.34 | 4 | 3 | 2 | 41 | 290.451 | 4 | ↓ |
