| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2007 | 33 | 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) | 2.54 | 4.01 | -15 | 3 | 9 | 0 | 117 | 453.495 | 7 | ↓ |
| Ref Reference (pH 7) | 2.54 | 3.88 | -14.47 | 3 | 9 | 0 | 117 | 453.495 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.54 | 4.72 | -44.03 | 2 | 9 | -1 | 120 | 452.487 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.31 | 3.88 | -54.64 | 1 | 9 | -1 | 116 | 452.487 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.31 | 3.56 | -62.58 | 1 | 9 | -1 | 116 | 452.487 | 7 | ↓ |
