| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 15 | No |
| 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) | -0.30 | -0.02 | -48.74 | 2 | 4 | 1 | 54 | 233.357 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.30 | -1.16 | -10.37 | 1 | 4 | 0 | 49 | 232.349 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -0.30 | 1.92 | -132.02 | 3 | 4 | 2 | 55 | 234.365 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -0.30 | 0.66 | -48.99 | 2 | 4 | 1 | 51 | 233.357 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
