| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 13 | 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) | 2.14 | 4.27 | -26.27 | 3 | 3 | 1 | 53 | 178.259 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.14 | 4.15 | -7.37 | 2 | 3 | 0 | 52 | 177.251 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.14 | 4.32 | -27.23 | 3 | 3 | 1 | 53 | 178.259 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
