| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | Yes |
Popular Name: (3S)-1-[[2-(aminomethyl)benzofuran-3-yl]methyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[[2-(aminomethyl)benzofur…
| 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) | 1.57 | 4.83 | -100.14 | 4 | 4 | 2 | 48 | 275.396 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.57 | 2.44 | -44.79 | 3 | 4 | 1 | 47 | 274.388 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.57 | 7.36 | -215.72 | 5 | 4 | 3 | 50 | 276.404 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
