| 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) | 3.16 | 9.06 | -29.17 | 1 | 8 | 0 | 107 | 409.442 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 6.73 | -42.05 | 0 | 8 | -1 | 106 | 408.434 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 8.31 | -45.53 | 2 | 8 | 1 | 104 | 410.45 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 9.11 | -51.4 | 1 | 8 | 0 | 107 | 409.442 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 5.94 | -14.66 | 1 | 8 | 0 | 103 | 409.442 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.16 | 8.27 | -48.46 | 2 | 8 | 1 | 104 | 410.45 | 5 | ↓ |
