| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 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) | 1.82 | 6.58 | -46.78 | 3 | 3 | 1 | 44 | 320.404 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.82 | 6.25 | -7.2 | 2 | 3 | 0 | 42 | 319.396 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.82 | 7.05 | -99.56 | 4 | 3 | 2 | 45 | 321.412 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
