| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 7th, 2008 | 36 | No |
None
| 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) | 4.09 | 12.09 | -75.78 | 1 | 7 | 0 | 83 | 494.632 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.09 | 9.73 | -60.85 | 0 | 7 | -1 | 82 | 493.624 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.54 | 10.88 | -57.5 | 2 | 7 | 1 | 81 | 495.64 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.51 | 11.89 | -61.12 | 1 | 7 | 1 | 77 | 495.64 | 9 | ↓ |
