| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 37 | 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) | 5.31 | 13.35 | -65.63 | 1 | 7 | 0 | 83 | 512.622 | 14 | ↓ |
| Hi High (pH 8-9.5) | 5.31 | 11.12 | -56.4 | 0 | 7 | -1 | 82 | 511.614 | 14 | ↓ |
| Mid Mid (pH 6-8) | 5.75 | 12.21 | -57.11 | 2 | 7 | 1 | 81 | 513.63 | 13 | ↓ |
| Mid Mid (pH 6-8) | 4.72 | 13.2 | -58.08 | 1 | 7 | 1 | 77 | 513.63 | 14 | ↓ |
