| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 22nd, 2009 | 31 | 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) | 3.24 | 6.19 | -40.24 | 2 | 7 | 1 | 77 | 425.505 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | 4.68 | -43.6 | 0 | 7 | -1 | 78 | 423.489 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.24 | 6.18 | -42.07 | 2 | 7 | 1 | 77 | 425.505 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.24 | 3.92 | -9.13 | 1 | 7 | 0 | 75 | 424.497 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.24 | 6.94 | -27.6 | 1 | 7 | 0 | 79 | 424.497 | 6 | ↓ |
