| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 16th, 2010 | 26 | 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) | 2.50 | 9.41 | -87.6 | 2 | 7 | 2 | 66 | 362.474 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.50 | 5.39 | -13.56 | 0 | 7 | 0 | 64 | 360.458 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.50 | 7.79 | -53.05 | 1 | 7 | 1 | 65 | 361.466 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.50 | 7.16 | -45.1 | 1 | 7 | 1 | 65 | 361.466 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
