| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 13th, 2009 | 20 | 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) | 2.25 | 7.36 | -13.44 | 1 | 4 | 0 | 59 | 263.3 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.70 | 4.58 | -58.08 | 0 | 4 | -1 | 62 | 262.292 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.25 | 7.36 | -46.05 | 2 | 4 | 1 | 60 | 264.308 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
