| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 31 | 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) | 1.74 | 2.32 | -19.43 | 3 | 9 | 0 | 117 | 425.441 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.72 | 2.89 | -52.24 | 1 | 9 | -1 | 116 | 424.433 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.72 | 2.61 | -67.62 | 1 | 9 | -1 | 116 | 424.433 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 3.45 | -47.3 | 2 | 9 | -1 | 120 | 424.433 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.74 | 3.08 | -59.31 | 2 | 9 | -1 | 120 | 424.433 | 7 | ↓ |
