| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 32 | 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) | 1.57 | 8.49 | -74.72 | 1 | 8 | 0 | 96 | 439.512 | 10 | ↓ |
| Hi High (pH 8-9.5) | 1.57 | 6.18 | -60.69 | 0 | 8 | -1 | 95 | 438.504 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.02 | 7.33 | -62.13 | 2 | 8 | 1 | 93 | 440.52 | 9 | ↓ |
| Mid Mid (pH 6-8) | 0.99 | 8.33 | -66.01 | 1 | 8 | 1 | 90 | 440.52 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 2.02 | 7.61 | -120.79 | 3 | 8 | 2 | 95 | 441.528 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 0.99 | 8.62 | -124.13 | 2 | 8 | 2 | 91 | 441.528 | 10 | ↓ |
