In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 20 | Yes |
Popular Name: 1-[4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]-2-[[(1R)-1-methylpropyl]amino]ethanone 1-[4-[[isopropyl(methyl)amino]me…
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) | 2.13 | 8.39 | -84.88 | 3 | 4 | 2 | 41 | 285.476 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.13 | 7.34 | -40.86 | 2 | 4 | 1 | 37 | 284.468 | 7 | ↓ |