| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2007 | 30 | 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) | 1.45 | 8.96 | -68.75 | 1 | 9 | 0 | 124 | 430.486 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.45 | 6.41 | -52.19 | 0 | 9 | -1 | 122 | 429.478 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.87 | 0.08 | -57.39 | 1 | 9 | 1 | 117 | 431.494 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.89 | 8.38 | -47.87 | 2 | 9 | 1 | 121 | 431.494 | 6 | ↓ |
