| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 21 | 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) | 3.76 | 9.43 | -38.71 | 2 | 3 | 1 | 33 | 322.523 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.76 | 8.1 | -6.06 | 1 | 3 | 0 | 28 | 321.515 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.76 | 9.74 | -90.53 | 3 | 3 | 2 | 34 | 323.531 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
