| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 22 | 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) | 3.74 | 2.5 | -8.07 | 3 | 4 | 0 | 65 | 314.41 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.74 | 3.1 | -43.65 | 2 | 4 | -1 | 68 | 313.402 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 3.74 | 3.94 | -31.16 | 4 | 4 | 1 | 66 | 315.418 | 1 | ↓ |
