In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 20 | Yes |
Popular Name: N,N-diethyl-N'-[1-(3-methylbut-2-enyl)-4-piperidyl]propane-1,3-diamine N,N-diethyl-N'-[1-(3-methylbut-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) | 3.25 | 8.3 | -102.35 | 3 | 3 | 2 | 24 | 283.504 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.25 | 6.22 | -38.17 | 2 | 3 | 1 | 23 | 282.496 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.25 | 10.59 | -182.64 | 4 | 3 | 3 | 25 | 284.512 | 9 | ↓ |