| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 24th, 2008 | 34 | 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) | 6.16 | 13.14 | -47.97 | 1 | 5 | -1 | 78 | 457.594 | 9 | ↓ |
| Mid Mid (pH 6-8) | 6.16 | 13.14 | -47.86 | 1 | 5 | -1 | 78 | 457.594 | 9 | ↓ |
| Mid Mid (pH 6-8) | 5.62 | 13.5 | -11.97 | 2 | 5 | 0 | 71 | 458.602 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 6.16 | 10.89 | -15.27 | 2 | 5 | 0 | 75 | 458.602 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 6.16 | 10.86 | -14.62 | 2 | 5 | 0 | 75 | 458.602 | 9 | ↓ |
