In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 15 | No |
Popular Name: (3S)-3-methyl-4-[2-(4-piperidyl)ethyl]thiomorpholine (3S)-3-methyl-4-[2-(4-piperidyl)…
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) | 1.72 | 7.08 | -92.02 | 3 | 2 | 2 | 21 | 230.421 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.72 | 5.05 | -39.76 | 2 | 2 | 1 | 20 | 229.413 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.