| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 17th, 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) | 4.71 | 10.33 | -26.06 | 1 | 5 | 0 | 61 | 406.526 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.71 | 8 | -42.53 | 0 | 5 | -1 | 60 | 405.518 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.71 | 9.58 | -42.73 | 2 | 5 | 1 | 58 | 407.534 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.71 | 10.38 | -52.02 | 1 | 5 | 0 | 61 | 406.526 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.71 | 7.2 | -11.79 | 1 | 5 | 0 | 57 | 406.526 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.71 | 9.53 | -41.87 | 2 | 5 | 1 | 58 | 407.534 | 5 | ↓ |
