| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2011 | 20 | No |
Popular Name: 2-[cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino]acetonitrile 2-[cyclopentyl(2,3-dihydro-1,4-b…
| 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) | 2.43 | 6.18 | -10.84 | 0 | 4 | 0 | 45 | 272.348 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.43 | 7.81 | -44.44 | 1 | 4 | 1 | 47 | 273.356 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
