| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 30th, 2007 | 30 | 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) | 2.48 | 1.68 | -14.81 | 4 | 8 | 0 | 119 | 429.86 | 5 | ↓ |
| Ref Reference (pH 7) | 2.48 | 1.75 | -12.25 | 4 | 8 | 0 | 119 | 429.86 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.46 | 1.69 | -52.28 | 2 | 8 | -1 | 118 | 428.852 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.46 | 1.34 | -53.81 | 2 | 8 | -1 | 118 | 428.852 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.48 | 2.41 | -39.8 | 3 | 8 | -1 | 122 | 428.852 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.48 | 2.51 | -50.54 | 3 | 8 | -1 | 122 | 428.852 | 5 | ↓ |
