| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2007 | 36 | 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) | 5.36 | 12.95 | -42.26 | 0 | 6 | -1 | 83 | 483.588 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.78 | 0.66 | -25.06 | 0 | 6 | 0 | 76 | 484.596 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 5.36 | 0.85 | -42.57 | 2 | 6 | 1 | 80 | 485.604 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 4.78 | 0.77 | -51.18 | 1 | 6 | 1 | 77 | 485.604 | 9 | ↓ |
