| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 25th, 2008 | 28 | 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) | 3.34 | 8.46 | -27.46 | 1 | 5 | 0 | 61 | 382.435 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.34 | 6.12 | -40.39 | 0 | 5 | -1 | 60 | 381.427 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.34 | 8.59 | -47.41 | 1 | 5 | 0 | 61 | 382.435 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.34 | 7.95 | -48.2 | 2 | 5 | 1 | 58 | 383.443 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.34 | 7.84 | -53.27 | 2 | 5 | 1 | 58 | 383.443 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.34 | 5.65 | -7.77 | 1 | 5 | 0 | 57 | 382.435 | 3 | ↓ |
