| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 27th, 2007 | 39 | 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) | 4.60 | 12.56 | -42.33 | 0 | 7 | -1 | 92 | 519.577 | 9 | ↓ |
| Mid Mid (pH 6-8) | 5.04 | 12.05 | -29.32 | 1 | 7 | 0 | 89 | 520.585 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.01 | 13.09 | -21.24 | 0 | 7 | 0 | 86 | 520.585 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 5.04 | 12.33 | -60.41 | 2 | 7 | 1 | 90 | 521.593 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.01 | 13.37 | -60.56 | 1 | 7 | 1 | 87 | 521.593 | 9 | ↓ |
