| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2006 | 32 | Yes |
| 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) | 2.36 | 1.25 | -18.13 | 3 | 8 | 0 | 116 | 471.457 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.99 | -0.34 | -50.09 | 2 | 8 | -1 | 122 | 470.449 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.99 | -0.23 | -43.53 | 4 | 8 | 1 | 121 | 472.465 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.99 | 0.92 | -52.52 | 4 | 8 | 1 | 121 | 472.465 | 6 | ↓ |
