| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2008 | 30 | 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) | 3.44 | 9.26 | -29.29 | 1 | 6 | 1 | 52 | 411.57 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.44 | 8.9 | -10.91 | 0 | 6 | 0 | 51 | 410.562 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.44 | 11.56 | -111.75 | 2 | 6 | 2 | 53 | 412.578 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.44 | 11.2 | -52 | 1 | 6 | 1 | 52 | 411.57 | 6 | ↓ |
