| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 30th, 2007 | 32 | Yes |
| 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) | 3.36 | 7.16 | -12.17 | 2 | 7 | 0 | 91 | 426.476 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.36 | 8.11 | -40.81 | 1 | 7 | -1 | 94 | 425.468 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.36 | 8.3 | -43.62 | 3 | 7 | 1 | 93 | 427.484 | 5 | ↓ |
