| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 2nd, 2011 | 18 | Yes |
Popular Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-prop-2-ynyl-pyrrolidine (2S)-2-(2,3-dihydro-1,4-benzodio…
| 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) | 2.17 | 6.59 | -5.67 | 0 | 3 | 0 | 22 | 243.306 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.17 | 8.04 | -32.33 | 1 | 3 | 1 | 23 | 244.314 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
