| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2009 | 22 | 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) | -5.26 | -14.66 | -208.69 | 15 | 10 | 3 | 208 | 325.386 | 3 | ↓ |
| Hi High (pH 8-9.5) | -5.26 | -15.04 | -113 | 14 | 10 | 2 | 207 | 324.378 | 3 | ↓ |
| Hi High (pH 8-9.5) | -5.26 | -15.11 | -45.19 | 13 | 10 | 1 | 205 | 323.37 | 3 | ↓ |
| Hi High (pH 8-9.5) | -5.26 | -14.66 | -106.39 | 14 | 10 | 2 | 207 | 324.378 | 3 | ↓ |
| Mid Mid (pH 6-8) | -5.26 | -14.27 | -303.48 | 16 | 10 | 4 | 210 | 326.394 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.