| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 11th, 2011 | 37 | 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) | 3.62 | 11.5 | -53.99 | 4 | 8 | 1 | 100 | 494.623 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.62 | 10.14 | -14.5 | 3 | 8 | 0 | 95 | 493.615 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.62 | 11.98 | -92.89 | 5 | 8 | 2 | 101 | 495.631 | 7 | ↓ |
