| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 19 | Yes |
Popular Name: (1S)-1-[3-chloro-4-[2-(1-piperidyl)ethoxy]phenyl]ethanamine (1S)-1-[3-chloro-4-[2-(1-piperid…
| 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) | 1.40 | 7.36 | -90.55 | 4 | 3 | 2 | 41 | 284.831 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.40 | 7.04 | -34.61 | 3 | 3 | 1 | 40 | 283.823 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.40 | 5.14 | -49 | 3 | 3 | 1 | 40 | 283.823 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
