| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2011 | 23 | 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) | 1.24 | 4.96 | -51 | 2 | 6 | 1 | 58 | 342.895 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.24 | 3.54 | -11.27 | 1 | 6 | 0 | 53 | 341.887 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.24 | 7.12 | -136.24 | 3 | 6 | 2 | 59 | 343.903 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
