| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2007 | 27 | No |
Popular Name: 4-[3-Cyano-1,1-bis-(2-cyano-ethyl)-propyl]-1-(2-pyridinium chloride 4-[3-Cyano-1,1-bis-(2-cyano-ethy…
4-[1,5-Dicyano-3-(2-cyanoethyl)pentan-3-yl]-1-[2-(pyridin-2-yl)ethyl]pyridinium chloride
| 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) | -4.51 | 12.94 | -64.93 | 0 | 5 | 1 | 88 | 358.469 | 10 | ↓ |
| Lo Low (pH 4.5-6) | -4.51 | 13.29 | -127.04 | 1 | 5 | 2 | 89 | 359.477 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.