| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 11th, 2011 | 31 | Yes |
None
| 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) | -4.69 | -10.66 | -281 | 16 | 12 | 4 | 223 | 451.565 | 6 | ↓ |
| Hi High (pH 8-9.5) | -4.69 | -13.01 | -7.5 | 12 | 12 | 0 | 214 | 447.533 | 6 | ↓ |
| Hi High (pH 8-9.5) | -4.69 | -12.64 | -45.73 | 13 | 12 | 1 | 215 | 448.541 | 6 | ↓ |
| Hi High (pH 8-9.5) | -4.69 | -12.55 | -41.21 | 13 | 12 | 1 | 215 | 448.541 | 6 | ↓ |
| Mid Mid (pH 6-8) | -4.69 | -10.61 | -281.67 | 16 | 12 | 4 | 223 | 451.565 | 6 | ↓ |
| Mid Mid (pH 6-8) | -4.69 | -10.21 | -397.52 | 17 | 12 | 5 | 225 | 452.573 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
