| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 37 | 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) | 3.78 | 13.61 | -83.94 | 3 | 8 | 2 | 71 | 505.711 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.78 | 10.85 | -13.49 | 1 | 8 | 0 | 69 | 503.695 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.78 | 14.23 | -148.65 | 4 | 8 | 3 | 73 | 506.719 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.78 | 11.26 | -29.54 | 2 | 8 | 1 | 70 | 504.703 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.78 | 11.86 | -80.11 | 3 | 8 | 2 | 72 | 505.711 | 8 | ↓ |
