| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 4th, 2011 | 29 | 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) | -0.44 | -1.76 | -58.37 | 6 | 9 | -1 | 181 | 400.363 | 1 | ↓ |
| Ref Reference (pH 7) | -0.12 | -4.42 | -50.95 | 6 | 9 | -1 | 182 | 400.363 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.17 | -2.17 | -71.92 | 6 | 9 | -1 | 181 | 400.363 | 0 | ↓ |
| Mid Mid (pH 6-8) | -1.17 | -3.16 | -21.3 | 7 | 9 | 0 | 178 | 401.371 | 0 | ↓ |
| Lo Low (pH 4.5-6) | -0.12 | -6.3 | -25.03 | 8 | 9 | 0 | 181 | 402.379 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -0.12 | -6.94 | -22.32 | 7 | 9 | 0 | 179 | 401.371 | 1 | ↓ |
