| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 33 | 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) | 3.66 | 12.46 | -66.72 | 1 | 8 | 0 | 111 | 455.486 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.66 | 10.12 | -52.3 | 0 | 8 | -1 | 109 | 454.478 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.11 | 11.35 | -62.97 | 2 | 8 | 1 | 108 | 456.494 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.08 | 12.31 | -65.93 | 1 | 8 | 1 | 105 | 456.494 | 9 | ↓ |
