| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 4th, 2006 | 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) | 4.00 | 9.73 | -15.35 | 2 | 7 | 0 | 93 | 463.921 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.46 | 7.93 | -48.2 | 1 | 7 | -1 | 96 | 462.913 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.07 | 7.09 | -10.46 | 2 | 7 | 0 | 97 | 463.921 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.52 | 5.27 | -41.07 | 1 | 7 | -1 | 100 | 462.913 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.52 | 6.65 | -59.41 | 2 | 7 | 0 | 101 | 463.921 | 7 | ↓ |
