| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2007 | 29 | 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) | 1.44 | 7.62 | -21.69 | 2 | 9 | 0 | 115 | 431.547 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.63 | 6.43 | -50.91 | 1 | 9 | -1 | 121 | 430.539 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.69 | 4.28 | -47.35 | 3 | 9 | 1 | 123 | 432.555 | 8 | ↓ |
