| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 36 | Yes |
| 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) | 2.83 | 11.71 | -173.66 | 4 | 8 | 3 | 67 | 494.708 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.83 | 8.28 | -22.78 | 2 | 8 | 1 | 65 | 492.692 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.83 | 7.87 | -12.95 | 1 | 8 | 0 | 63 | 491.684 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.83 | 12.41 | -266.46 | 5 | 8 | 4 | 68 | 495.716 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.83 | 10.66 | -84.15 | 3 | 8 | 2 | 66 | 493.7 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.83 | 9.43 | -81.63 | 3 | 8 | 2 | 66 | 493.7 | 9 | ↓ |
