| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 30th, 2007 | 33 | 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) | 3.74 | 7.81 | -12.61 | 2 | 7 | 0 | 91 | 440.503 | 5 | ↓ |
| Ref Reference (pH 7) | 3.74 | 7.88 | -11.9 | 2 | 7 | 0 | 91 | 440.503 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.74 | 8.87 | -39.27 | 1 | 7 | -1 | 94 | 439.495 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.51 | 9.09 | -46.94 | 0 | 7 | -1 | 90 | 439.495 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.51 | 8.61 | -56.86 | 0 | 7 | -1 | 90 | 439.495 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.74 | 8.94 | -47.72 | 3 | 7 | 1 | 93 | 441.511 | 5 | ↓ |
