| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | Yes |
Popular Name: (3S)-1-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(6-amino-4H-1,3-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) | 0.68 | 3.27 | -31.98 | 3 | 5 | 1 | 52 | 278.376 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.68 | 0.9 | -6.44 | 2 | 5 | 0 | 51 | 277.368 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.68 | 3.27 | -37.16 | 3 | 5 | 1 | 52 | 278.376 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.68 | 5.66 | -102.78 | 4 | 5 | 2 | 53 | 279.384 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
