| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2007 | 34 | 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) | 5.05 | 12.8 | -72.12 | 1 | 6 | 0 | 74 | 464.606 | 10 | ↓ |
| Hi High (pH 8-9.5) | 5.05 | 10.26 | -58.97 | 0 | 6 | -1 | 73 | 463.598 | 10 | ↓ |
| Mid Mid (pH 6-8) | 5.50 | 13.49 | -47.27 | 2 | 6 | 1 | 71 | 465.614 | 9 | ↓ |
