| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2011 | 19 | 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) | 2.26 | 5.42 | -46.4 | 2 | 5 | -1 | 82 | 260.248 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.26 | 5.86 | -55.04 | 3 | 5 | 0 | 84 | 261.256 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.26 | 5.27 | -41.19 | 3 | 5 | 0 | 84 | 261.256 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.26 | 5.71 | -65.27 | 4 | 5 | 1 | 85 | 262.264 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
