In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 17 | Yes |
Popular Name: [4-[(2R)-2-ethyl-1-piperidyl]-1-methyl-4-piperidyl]methanamine [4-[(2R)-2-ethyl-1-piperidyl]-1-…
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) | 1.41 | 3.61 | -26 | 3 | 3 | 1 | 34 | 240.415 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.41 | 4.8 | -36.03 | 3 | 3 | 1 | 34 | 240.415 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.41 | 5.99 | -92.82 | 4 | 3 | 2 | 35 | 241.423 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.41 | 3.8 | -109.14 | 4 | 3 | 2 | 35 | 241.423 | 3 | ↓ |