| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 38 | 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) | 5.44 | 11.25 | -12.8 | 2 | 7 | 0 | 91 | 502.574 | 6 | ↓ |
| Ref Reference (pH 7) | 5.44 | 11.36 | -12.05 | 2 | 7 | 0 | 91 | 502.574 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.44 | 12.37 | -41 | 1 | 7 | -1 | 94 | 501.566 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.21 | 12.63 | -47.94 | 0 | 7 | -1 | 90 | 501.566 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.21 | 12.17 | -57.92 | 0 | 7 | -1 | 90 | 501.566 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 5.44 | 12.36 | -42.55 | 3 | 7 | 1 | 93 | 503.582 | 6 | ↓ |
