| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2008 | 30 | No |
None
| 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) | 3.09 | 7.2 | -28.98 | 1 | 7 | 0 | 79 | 408.454 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.09 | 4.88 | -41.97 | 0 | 7 | -1 | 78 | 407.446 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.09 | 6.39 | -45.15 | 2 | 7 | 1 | 77 | 409.462 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.09 | 7.19 | -52.74 | 1 | 7 | 0 | 79 | 408.454 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.09 | 4.08 | -13.25 | 1 | 7 | 0 | 75 | 408.454 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.09 | 6.4 | -46.3 | 2 | 7 | 1 | 77 | 409.462 | 4 | ↓ |
