| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 21 | Yes |
Popular Name: (1S)-1-(1,3-benzodioxol-5-yl)-N-ethyl-N'-(3-methoxypropyl)-N'-methyl-ethane-1,2-diamine (1S)-1-(1,3-benzodioxol-5-yl)-N-…
| 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) | 2.23 | 5.52 | -41.5 | 2 | 5 | 1 | 44 | 295.403 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.23 | 4.65 | -41.52 | 2 | 5 | 1 | 48 | 295.403 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.23 | 6.56 | -130.56 | 3 | 5 | 2 | 49 | 296.411 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
