| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 18 | Yes |
Popular Name: (3S)-1-[[(3R)-3-(aminomethyl)tetrahydrofuran-3-yl]methyl]-N,N-diethyl-pyrrolidin-3-amine (3S)-1-[[(3R)-3-(aminomethyl)tet…
| 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) | 0.24 | 2.8 | -85.56 | 4 | 4 | 2 | 45 | 257.422 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.24 | 0.65 | -38.98 | 3 | 4 | 1 | 43 | 256.414 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.24 | 4.76 | -197.27 | 5 | 4 | 3 | 46 | 258.43 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
