In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 18 | Yes |
Popular Name: N-isobutyl-N',N'-dimethyl-N-[2-(4-piperidyl)ethyl]ethane-1,2-diamine N-isobutyl-N',N'-dimethyl-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) | 2.15 | 6.43 | -89.23 | 3 | 3 | 2 | 24 | 257.466 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.15 | 7.27 | -84.31 | 3 | 3 | 2 | 24 | 257.466 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.15 | 8.88 | -176.15 | 4 | 3 | 3 | 25 | 258.474 | 8 | ↓ |