| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 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) | 1.48 | 6.37 | -34.16 | 2 | 4 | 1 | 42 | 252.382 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.48 | 4.16 | -5.04 | 1 | 4 | 0 | 41 | 251.374 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.48 | 6.79 | -85.71 | 3 | 4 | 2 | 44 | 253.39 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
