| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 23 | 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) | 1.56 | 4.01 | -37.02 | 0 | 5 | -1 | 70 | 328.348 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.56 | 5 | -46.49 | 1 | 5 | 0 | 72 | 329.356 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.10 | 6.76 | -43.71 | 2 | 5 | 1 | 69 | 330.364 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.10 | 5.78 | -8.18 | 1 | 5 | 0 | 67 | 329.356 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
