| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 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) | 2.45 | 5.14 | -37.75 | 2 | 4 | 1 | 38 | 291.415 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.45 | 3.53 | -4.68 | 1 | 4 | 0 | 34 | 290.407 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.45 | 7.01 | -117.68 | 3 | 4 | 2 | 40 | 292.423 | 5 | ↓ |
