In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 15th, 2011 | 20 | Yes |
Popular Name: (1R)-1-[3-chloro-4-[(6S)-2,2,6-trimethylmorpholin-4-yl]phenyl]-N-methyl-ethanamine (1R)-1-[3-chloro-4-[(6S)-2,2,6-t…
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) | 3.78 | 8.35 | -41.49 | 2 | 3 | 1 | 29 | 297.85 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.78 | 7.17 | -3.26 | 1 | 3 | 0 | 24 | 296.842 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.