| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | Yes |
Popular Name: (3S)-1-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(6-amino-2,3-dihydro-1,4…
| 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) | 0.81 | 3.43 | -37.96 | 3 | 5 | 1 | 52 | 278.376 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.81 | 3.39 | -40.05 | 3 | 5 | 1 | 52 | 278.376 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.81 | 5.82 | -111.25 | 4 | 5 | 2 | 53 | 279.384 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
