| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 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) | 2.77 | 6.39 | -42.77 | 3 | 2 | 1 | 31 | 253.369 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | 6.26 | -3.46 | 2 | 2 | 0 | 29 | 252.361 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.77 | 8.36 | -39.57 | 3 | 2 | 1 | 30 | 253.369 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
