| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 19th, 2011 | 29 | Yes |
Popular Name: Colupulone Colupulone
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) | 4.62 | 12.59 | -6.42 | 0 | 4 | 0 | 68 | 400.559 | 8 | ↓ |
| Hi High (pH 8-9.5) | 5.21 | 13.05 | -46.98 | 0 | 4 | -1 | 74 | 399.551 | 7 | ↓ |
| Hi High (pH 8-9.5) | 5.79 | 13.22 | -104.55 | 0 | 4 | -2 | 80 | 398.543 | 7 | ↓ |
| Hi High (pH 8-9.5) | 5.21 | 12.36 | -44.26 | 0 | 4 | -1 | 74 | 399.551 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.