| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 25 | No |
None
None
| 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) | 4.06 | 9.52 | -43.8 | 2 | 4 | 1 | 55 | 336.411 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.06 | 7.8 | -44.34 | 0 | 4 | -1 | 57 | 334.395 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.06 | 10.27 | -32.08 | 1 | 4 | 0 | 58 | 335.403 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
