| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 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) | 2.81 | 7.99 | -109.42 | 3 | 3 | 2 | 30 | 312.454 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.81 | 4.1 | -6.02 | 1 | 3 | 0 | 24 | 310.438 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.81 | 5.55 | -44.37 | 2 | 3 | 1 | 29 | 311.446 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.81 | 7.07 | -30.14 | 2 | 3 | 1 | 26 | 311.446 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
