| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 8th, 2008 | 32 | 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) | 3.27 | 8.87 | -13.67 | 1 | 6 | 0 | 84 | 428.419 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.68 | 9.55 | -20.43 | 0 | 6 | 0 | 80 | 428.419 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.71 | 8.85 | -54.65 | 2 | 6 | 1 | 85 | 429.427 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.68 | 9.86 | -49.13 | 1 | 6 | 1 | 82 | 429.427 | 5 | ↓ |
