| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2007 | 31 | No |
| 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) | 3.71 | 7.53 | -54.5 | 0 | 6 | -1 | 73 | 480.393 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.15 | 9.7 | -47.54 | 2 | 6 | 1 | 71 | 482.409 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.12 | 10.52 | -51.55 | 1 | 6 | 1 | 68 | 482.409 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.71 | 9.87 | -69.87 | 1 | 6 | 0 | 74 | 481.401 | 7 | ↓ |
