| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2006 | 31 | No |
| 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) | 4.20 | 10.13 | -20.38 | 2 | 6 | 0 | 80 | 417.509 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.34 | -1 | -13.36 | 1 | 6 | 0 | 80 | 417.509 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.34 | 0.02 | -13.72 | 1 | 6 | 0 | 80 | 417.509 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.34 | -1.35 | -30.71 | 2 | 6 | 1 | 81 | 418.517 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.34 | -0.33 | -35.55 | 2 | 6 | 1 | 81 | 418.517 | 4 | ↓ |
