| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 10th, 2011 | 26 | 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) | -0.65 | 5.39 | -100.08 | 3 | 8 | -1 | 136 | 359.358 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.65 | 3.38 | -56.26 | 4 | 8 | 0 | 133 | 360.366 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.65 | 3.54 | -53.66 | 4 | 8 | 0 | 133 | 360.366 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.65 | 3.55 | -54.73 | 4 | 8 | 0 | 133 | 360.366 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.65 | 3.4 | -53.5 | 4 | 8 | 0 | 133 | 360.366 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
