In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2011 | 23 | Yes |
Popular Name: 1-[(3R)-1-ethyl-3-piperidyl]-N-[(4-imidazol-1-ylphenyl)methyl]-N-methyl-methanamine 1-[(3R)-1-ethyl-3-piperidyl]-N-[…
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) | 2.25 | 11.28 | -37.4 | 1 | 4 | 1 | 26 | 313.469 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.25 | 13.26 | -114.19 | 2 | 4 | 2 | 27 | 314.477 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.25 | 11.79 | -74.77 | 2 | 4 | 2 | 27 | 314.477 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.25 | 13.77 | -164.42 | 3 | 4 | 3 | 28 | 315.485 | 6 | ↓ |