| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2008 | 28 | 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) | 1.26 | 4.99 | -59.46 | 1 | 7 | -1 | 107 | 375.36 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.68 | 4.97 | -13.91 | 1 | 7 | 0 | 101 | 376.368 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.26 | 4.6 | -13.04 | 2 | 7 | 0 | 104 | 376.368 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.26 | 4.88 | -52.91 | 3 | 7 | 1 | 105 | 377.376 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.68 | 5.24 | -46.74 | 2 | 7 | 1 | 102 | 377.376 | 5 | ↓ |
