| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 18 | 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) | 2.54 | 6.56 | -32.07 | 1 | 3 | 1 | 17 | 255.426 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.54 | 4.69 | -1.79 | 0 | 3 | 0 | 16 | 254.418 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.54 | 8.83 | -100.93 | 2 | 3 | 2 | 18 | 256.434 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
