| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 24th, 2008 | 24 | No |
None
| 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) | 4.27 | 8.74 | -46.28 | 1 | 4 | -1 | 77 | 333.448 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.27 | 8.97 | -52.33 | 1 | 4 | -1 | 77 | 333.448 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.27 | 10.4 | -115.58 | 0 | 4 | -2 | 80 | 332.44 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.68 | 9.11 | -37.65 | 0 | 4 | -1 | 74 | 333.448 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.10 | 9.18 | -12.15 | 0 | 4 | 0 | 68 | 334.456 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.68 | 9.26 | -42.15 | 0 | 4 | -1 | 74 | 333.448 | 3 | ↓ |
