| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 17th, 2008 | 27 | 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) | 2.99 | 7.8 | -26.73 | 1 | 5 | 0 | 61 | 368.408 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.99 | 5.46 | -41.49 | 0 | 5 | -1 | 60 | 367.4 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.99 | 7.81 | -51.18 | 1 | 5 | 0 | 61 | 368.408 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.99 | 7.14 | -43.43 | 2 | 5 | 1 | 58 | 369.416 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.99 | 4.72 | -8 | 1 | 5 | 0 | 57 | 368.408 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.99 | 7.01 | -43.17 | 2 | 5 | 1 | 58 | 369.416 | 3 | ↓ |
