In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 16 | Yes |
Popular Name: N-isobutyl-N',N'-dimethyl-N-(4-piperidyl)ethane-1,2-diamine N-isobutyl-N',N'-dimethyl-N-(4-p…
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) | 1.32 | 5.4 | -90.69 | 3 | 3 | 2 | 24 | 229.412 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.32 | 2.93 | -38.83 | 2 | 3 | 1 | 23 | 228.404 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.32 | 6.77 | -189.79 | 4 | 3 | 3 | 25 | 230.42 | 6 | ↓ |