| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2010 | 32 | 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) | 5.23 | 12.73 | -16.94 | 0 | 4 | 0 | 36 | 441.6 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.57 | 15.31 | -54.28 | 2 | 4 | 1 | 41 | 442.608 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.23 | 13.16 | -54.13 | 1 | 4 | 1 | 38 | 442.608 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.23 | 13.16 | -56.09 | 1 | 4 | 1 | 38 | 442.608 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.23 | 15.41 | -138.1 | 2 | 4 | 2 | 39 | 443.616 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.23 | 15.41 | -136.78 | 2 | 4 | 2 | 39 | 443.616 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.23 | 14.98 | -63.08 | 1 | 4 | 1 | 37 | 442.608 | 4 | ↓ |
