| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 17 | 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) | 2.96 | 6.43 | -29.67 | 3 | 3 | 1 | 53 | 226.303 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.96 | 6.32 | -7.94 | 2 | 3 | 0 | 52 | 225.295 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.96 | 6.49 | -29.93 | 3 | 3 | 1 | 53 | 226.303 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
