| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 20 | No |
Popular Name: 1-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxo-propyl]pyrrole-2-carbaldehyde 1-[3-[4-(2-hydroxyethyl)piperazi…
| 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) | -0.17 | 1.79 | -12.79 | 1 | 6 | 0 | 66 | 279.34 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.17 | 4.08 | -48.27 | 2 | 6 | 1 | 67 | 280.348 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
