| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 27th, 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) | 3.99 | 8.43 | -16.25 | 2 | 7 | 0 | 91 | 460.921 | 5 | ↓ |
| Ref Reference (pH 7) | 3.99 | 8.36 | -12.07 | 2 | 7 | 0 | 91 | 460.921 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.97 | 8.23 | -56.07 | 0 | 7 | -1 | 90 | 459.913 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.97 | 8.38 | -49.55 | 0 | 7 | -1 | 90 | 459.913 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.99 | 9.18 | -42.22 | 1 | 7 | -1 | 94 | 459.913 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.99 | 9.15 | -48.77 | 1 | 7 | -1 | 94 | 459.913 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.99 | -3.07 | -39.07 | 3 | 7 | 1 | 92 | 461.929 | 5 | ↓ |
