| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 21 | Yes |
Popular Name: (2S)-N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-yl-propan-1-amine (2S)-N-[(6-bromo-1,3-benzodioxol…
| 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) | 3.30 | 8.46 | -104.71 | 3 | 4 | 2 | 40 | 357.292 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.30 | 6.28 | -41.43 | 2 | 4 | 1 | 38 | 356.284 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.30 | 7.22 | -35.37 | 2 | 4 | 1 | 35 | 356.284 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
