In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 2011 | 18 | No |
Popular Name: (3S)-N-[[(3R)-3-ethyl-3-piperidyl]methyl]-3-methyl-1,1-dioxo-thiolan-3-amine (3S)-N-[[(3R)-3-ethyl-3-piperidy…
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) | 0.85 | 1.42 | -55.94 | 3 | 4 | 1 | 63 | 275.438 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.85 | 2.31 | -127.58 | 4 | 4 | 2 | 67 | 276.446 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.