| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2008 | 31 | 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) | 0.68 | 2.45 | -77.51 | 4 | 8 | 0 | 127 | 430.432 | 9 | ↓ |
| Hi High (pH 8-9.5) | 0.68 | 0.97 | -60.22 | 3 | 8 | -1 | 122 | 429.424 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.13 | 1.45 | -66.53 | 5 | 8 | 1 | 124 | 431.44 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.10 | 2.43 | -72.23 | 4 | 8 | 1 | 121 | 431.44 | 9 | ↓ |
