| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 11 | 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) | -0.27 | 5.08 | -103.38 | 4 | 3 | 2 | 47 | 153.229 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.27 | 4.25 | -6.33 | 2 | 3 | 0 | 44 | 151.213 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.27 | 4.56 | -47.16 | 3 | 3 | 1 | 45 | 152.221 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
