| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 14th, 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) | 0.81 | 7.2 | -66.05 | 1 | 7 | 0 | 80 | 317.393 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.81 | 6.57 | -71.77 | 0 | 7 | -1 | 79 | 316.385 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.81 | 8.81 | -79.6 | 1 | 7 | 0 | 80 | 317.393 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
