| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 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) | 3.22 | 10.66 | -70.24 | 1 | 6 | 0 | 78 | 441.597 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 8.13 | -58.24 | 0 | 6 | -1 | 77 | 440.589 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.64 | 0.43 | -47.8 | 1 | 6 | 1 | 71 | 442.605 | 7 | ↓ |
