| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 18 | 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) | 2.43 | 3.92 | -9.41 | 1 | 4 | 0 | 59 | 262.334 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.43 | 4 | -40.94 | 0 | 4 | -1 | 61 | 261.326 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.43 | 4.2 | -40.24 | 2 | 4 | 1 | 60 | 263.342 | 3 | ↓ |
