| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 24th, 2006 | 33 | 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) | 5.24 | 12.8 | -15.34 | 2 | 5 | 0 | 78 | 473.001 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.76 | 11.28 | -11.64 | 1 | 5 | 0 | 78 | 473.001 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.76 | 12.47 | -12.66 | 1 | 5 | 0 | 78 | 473.001 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.57 | 11.8 | -10.76 | 1 | 5 | 0 | 78 | 473.001 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 5.76 | 11.56 | -46.41 | 2 | 5 | 1 | 79 | 474.009 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 5.20 | 12.78 | -46.97 | 2 | 5 | 1 | 79 | 474.009 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 5.76 | 12.75 | -48.95 | 2 | 5 | 1 | 79 | 474.009 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 5.57 | 12.08 | -46.25 | 2 | 5 | 1 | 79 | 474.009 | 6 | ↓ |
