| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 21 | Yes |
Popular Name: (3S)-1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-N,N-diethyl-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) | 1.86 | 6.14 | -37.26 | 3 | 5 | 1 | 52 | 292.403 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.86 | 4.03 | -5.68 | 2 | 5 | 0 | 51 | 291.395 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.86 | 6.04 | -98.27 | 4 | 5 | 2 | 54 | 293.411 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
