| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2007 | 35 | 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) | 5.64 | 11.39 | -10.13 | 2 | 6 | 0 | 82 | 487.003 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.62 | 11.26 | -54.25 | 0 | 6 | -1 | 81 | 485.995 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.62 | 11.4 | -49.36 | 0 | 6 | -1 | 81 | 485.995 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.64 | 12.21 | -42.64 | 1 | 6 | -1 | 85 | 485.995 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.64 | 12.16 | -47.6 | 1 | 6 | -1 | 85 | 485.995 | 5 | ↓ |
