| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 27th, 2006 | 28 | 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) | 0.74 | 5.14 | -52.54 | 1 | 8 | -1 | 119 | 393.404 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | 5.92 | -105.81 | 0 | 8 | -2 | 122 | 392.396 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.74 | 4.33 | -16.05 | 2 | 8 | 0 | 117 | 394.412 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.15 | 4.73 | -14.05 | 1 | 8 | 0 | 113 | 394.412 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.74 | 4.6 | -58.64 | 3 | 8 | 1 | 118 | 395.42 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.15 | 5.01 | -48.83 | 2 | 8 | 1 | 115 | 395.42 | 4 | ↓ |
