| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 21 | Yes |
Popular Name: (3S)-1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(methylamino)ethyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(2S)-2-(1,3-benzodioxol-…
| 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) | 1.75 | 5.46 | -99.2 | 3 | 5 | 2 | 43 | 293.411 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.75 | 3.07 | -42.11 | 2 | 5 | 1 | 42 | 292.403 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.75 | 1.35 | -5.36 | 1 | 5 | 0 | 37 | 291.395 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
