| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 25 | 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) | 3.45 | 11.53 | -32.02 | 1 | 3 | 1 | 21 | 362.9 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.44 | 7.87 | -5.29 | 0 | 3 | 0 | 19 | 361.892 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.45 | 10.25 | -33.9 | 1 | 3 | 1 | 21 | 362.9 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.45 | 10.71 | -81.18 | 2 | 3 | 2 | 22 | 363.908 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.