| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 20 | Yes |
Popular Name: (1S,2R)-2-(azocan-1-yl)-1-(4-ethylphenyl)propan-1-amine (1S,2R)-2-(azocan-1-yl)-1-(4-eth…
| 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) | 2.62 | 9.31 | -32.5 | 3 | 2 | 1 | 30 | 275.46 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.62 | 9.65 | -121.59 | 4 | 2 | 2 | 32 | 276.468 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
