| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 32 | 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) | -0.40 | 4.64 | -75.29 | 4 | 9 | -1 | 165 | 459.862 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.40 | 4.45 | -198.54 | 2 | 9 | -3 | 167 | 457.846 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.40 | 3.82 | -126.75 | 3 | 9 | -2 | 164 | 458.854 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.40 | 4.33 | -71 | 5 | 9 | 0 | 162 | 460.87 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.40 | 5.24 | -127.26 | 4 | 9 | -1 | 165 | 459.862 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.40 | 5.64 | -142.98 | 3 | 9 | -2 | 168 | 458.854 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.40 | 4.4 | -96.35 | 4 | 9 | -1 | 165 | 459.862 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.40 | 4.48 | -55.61 | 5 | 9 | 0 | 162 | 460.87 | 2 | ↓ |
