In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 16th, 2011 | 13 | Yes |
Popular Name: 1-[(2S)-1-cyclobutyl-2-piperidyl]-N-methyl-methanamine 1-[(2S)-1-cyclobutyl-2-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) | 1.68 | 6.65 | -103.47 | 3 | 2 | 2 | 21 | 184.327 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.68 | 4.61 | -35.01 | 2 | 2 | 1 | 20 | 183.319 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.68 | 5.12 | -27.28 | 2 | 2 | 1 | 16 | 183.319 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.