| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2011 | 23 | 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) | 3.57 | 10.26 | -86.99 | 2 | 4 | 2 | 35 | 372.991 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.57 | 5.49 | -4.66 | 0 | 4 | 0 | 32 | 370.975 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.57 | 7.95 | -36.84 | 1 | 4 | 1 | 33 | 371.983 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
