| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2008 | 35 | 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) | 3.58 | 8.09 | -14.07 | 2 | 8 | 0 | 101 | 490.947 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.56 | 7.84 | -56.43 | 0 | 8 | -1 | 99 | 489.939 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.56 | 7.78 | -50.51 | 0 | 8 | -1 | 99 | 489.939 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.58 | 9.09 | -43.75 | 1 | 8 | -1 | 103 | 489.939 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.58 | 8.86 | -50.69 | 1 | 8 | -1 | 103 | 489.939 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.37 | 9.38 | -45.29 | 3 | 8 | 1 | 102 | 491.955 | 5 | ↓ |
