| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 18th, 2011 | 18 | 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) | 3.28 | 3.84 | -39.51 | 1 | 4 | -1 | 65 | 258.688 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.28 | 4.27 | -19.96 | 2 | 4 | 0 | 66 | 259.696 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.28 | 3.07 | -9.18 | 2 | 4 | 0 | 62 | 259.696 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
