In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 16 | No |
Popular Name: (3R)-4-[(4-ethyl-4-piperidyl)methyl]-3-methyl-thiomorpholine (3R)-4-[(4-ethyl-4-piperidyl)met…
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) | 1.85 | 6.26 | -96.21 | 3 | 2 | 2 | 21 | 244.448 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.85 | 4.01 | -41.52 | 2 | 2 | 1 | 20 | 243.44 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.