| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 20 | Yes |
Popular Name: (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(3-methoxypropyl)-N'-methyl-ethane-1,2-diamine (1R)-1-(2,3-dihydro-1,4-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) | -0.78 | 4.07 | -39.53 | 3 | 5 | 1 | 58 | 281.376 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.78 | 2.4 | -46.97 | 3 | 5 | 1 | 59 | 281.376 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.78 | 2.01 | -6.29 | 2 | 5 | 0 | 57 | 280.368 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.78 | 4.41 | -135.63 | 4 | 5 | 2 | 60 | 282.384 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
