| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2007 | 32 | 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) | 4.29 | 11.81 | -71.42 | 1 | 6 | 0 | 74 | 456.97 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.29 | 12.14 | -45.41 | 2 | 6 | 1 | 71 | 457.978 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.71 | 12.5 | -49.22 | 1 | 6 | 1 | 68 | 457.978 | 10 | ↓ |
