| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 16 | 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) | 1.63 | 5.85 | -56.01 | 2 | 3 | 1 | 34 | 224.234 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.63 | 4.42 | -6.64 | 1 | 3 | 0 | 30 | 223.226 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.63 | 6.32 | -114.44 | 3 | 3 | 2 | 36 | 225.242 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
