In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 20 | Yes |
Popular Name: 2-(isopropylamino)-N-methyl-N-[2-[methyl-(1-methyl-4-piperidyl)amino]ethyl]acetamide 2-(isopropylamino)-N-methyl-N-[2…
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) | 0.57 | 5.13 | -81.21 | 3 | 5 | 2 | 45 | 286.464 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.57 | 4.02 | -36.95 | 2 | 5 | 1 | 40 | 285.456 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.57 | 3.95 | -38.14 | 2 | 5 | 1 | 40 | 285.456 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.57 | 7.6 | -164.86 | 4 | 5 | 3 | 46 | 287.472 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.57 | 5.2 | -89.68 | 3 | 5 | 2 | 45 | 286.464 | 7 | ↓ |