| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 30th, 2006 | 29 | 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) | 3.53 | 5.35 | -19.85 | 3 | 6 | 0 | 89 | 415.852 | 5 | ↓ |
| Ref Reference (pH 7) | 3.53 | 4.4 | -11.18 | 3 | 6 | 0 | 89 | 415.852 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.51 | 5.16 | -53.48 | 1 | 6 | -1 | 88 | 414.844 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.51 | 5.14 | -47.53 | 1 | 6 | -1 | 88 | 414.844 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.53 | 6.18 | -38.7 | 2 | 6 | -1 | 92 | 414.844 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.53 | 5.16 | -47.22 | 2 | 6 | -1 | 92 | 414.844 | 5 | ↓ |
