In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 15th, 2011 | 20 | Yes |
Popular Name: (3R)-N-[2-chloro-4-[(1S)-1-(methylamino)ethyl]phenyl]-N,1-dimethyl-piperidin-3-amine (3R)-N-[2-chloro-4-[(1S)-1-(meth…
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) | 3.18 | 9.63 | -85.29 | 3 | 3 | 2 | 24 | 297.874 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.18 | 7.25 | -40.77 | 2 | 3 | 1 | 23 | 296.866 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.