| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2008 | 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) | 1.20 | 8.35 | -62.38 | 1 | 6 | -1 | 87 | 438.554 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.48 | 9.79 | -42.67 | 2 | 6 | -1 | 82 | 438.554 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.13 | 9.82 | -17.02 | 2 | 6 | 0 | 76 | 439.562 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.59 | 8.31 | -22.59 | 1 | 6 | 0 | 79 | 439.562 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.11 | 8.4 | -22.65 | 1 | 6 | 0 | 87 | 439.562 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.11 | 8.21 | -59.57 | 0 | 6 | -1 | 86 | 438.554 | 4 | ↓ |
