| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2009 | 45 | 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) | 2.80 | 17.52 | -160.51 | 2 | 8 | 1 | 77 | 614.717 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.80 | 15.2 | -111.13 | 1 | 8 | 0 | 76 | 613.709 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.80 | 15.21 | -99.97 | 1 | 8 | 0 | 76 | 613.709 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.80 | 12.88 | -69.75 | 0 | 8 | -1 | 75 | 612.701 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 0.06 | 16.57 | -139.91 | 3 | 8 | 2 | 80 | 615.725 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.80 | 19.18 | -119.27 | 3 | 8 | 2 | 75 | 615.725 | 8 | ↓ |
