| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 20 | 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) | 2.13 | 5.94 | -44.83 | 2 | 3 | 1 | 29 | 293.456 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.13 | 5.11 | -4.09 | 1 | 3 | 0 | 24 | 292.448 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.13 | 7.38 | -38.98 | 2 | 3 | 1 | 26 | 293.456 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.13 | 8.22 | -116.24 | 3 | 3 | 2 | 30 | 294.464 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
