| 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) | 0.72 | 3.6 | -51.5 | 3 | 4 | 1 | 49 | 291.415 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.72 | 3.75 | -4.85 | 2 | 4 | 0 | 48 | 290.407 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.72 | 5.65 | -125.97 | 4 | 4 | 2 | 51 | 292.423 | 4 | ↓ |
