| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 21 | 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) | 2.36 | 6.21 | -37.08 | 2 | 4 | 1 | 42 | 291.415 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.36 | 4.71 | -4.77 | 1 | 4 | 0 | 38 | 290.407 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.36 | 8.3 | -96.96 | 3 | 4 | 2 | 43 | 292.423 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
