| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 27 | 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) | 2.68 | 7.22 | -42.36 | 2 | 6 | 1 | 71 | 369.441 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.68 | 7.99 | -55.59 | 1 | 6 | 0 | 74 | 368.433 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.68 | 5.62 | -47.06 | 0 | 6 | -1 | 73 | 367.425 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.68 | 4.86 | -10.23 | 1 | 6 | 0 | 70 | 368.433 | 3 | ↓ |
