| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 19 | Yes |
Popular Name: (1S)-1-(1,3-benzodioxol-5-yl)-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) | -0.40 | 3.64 | -44.97 | 3 | 5 | 1 | 58 | 267.349 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.40 | 1.24 | -6.56 | 2 | 5 | 0 | 57 | 266.341 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.40 | 2.01 | -49.19 | 3 | 5 | 1 | 59 | 267.349 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.40 | 3.96 | -139.52 | 4 | 5 | 2 | 60 | 268.357 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
