| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 35 | No |
None
None
| 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) | 4.20 | 10.54 | -50.25 | 2 | 7 | 1 | 72 | 476.597 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.20 | 8.27 | -12.62 | 1 | 7 | 0 | 71 | 475.589 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.20 | 8.85 | -47.38 | 0 | 7 | -1 | 74 | 474.581 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.20 | 11.13 | -53.11 | 1 | 7 | 0 | 75 | 475.589 | 6 | ↓ |
