| 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) | 0.77 | 8.48 | -55.09 | 1 | 8 | -1 | 124 | 439.498 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.05 | 9.98 | -34.26 | 2 | 8 | -1 | 119 | 439.498 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.71 | 9.99 | -21.12 | 2 | 8 | 0 | 113 | 440.506 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.16 | 8.47 | -27.26 | 1 | 8 | 0 | 116 | 440.506 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.68 | 8.51 | -28.04 | 1 | 8 | 0 | 124 | 440.506 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.68 | 8.32 | -54.64 | 0 | 8 | -1 | 122 | 439.498 | 3 | ↓ |
