| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 17th, 2007 | 38 | 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) | 4.04 | 10.45 | -41.71 | 1 | 7 | -1 | 103 | 505.55 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.48 | 8.95 | -29.78 | 2 | 7 | 0 | 100 | 506.558 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.45 | -2.14 | -26.29 | 1 | 7 | 0 | 96 | 506.558 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.45 | -2.03 | -55.65 | 2 | 7 | 1 | 98 | 507.566 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.04 | 9.76 | -54.66 | 3 | 7 | 1 | 101 | 507.566 | 8 | ↓ |
