In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 19 | Yes |
Popular Name: N'-isopropyl-N'-methyl-N-[(2R,4S,5R)-1,2,5-trimethyl-4-piperidyl]butane-1,4-diamine N'-isopropyl-N'-methyl-N-[(2R,4S…
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) | 2.57 | 8.72 | -72.03 | 3 | 3 | 2 | 21 | 271.493 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.57 | 9.73 | -166.83 | 4 | 3 | 3 | 25 | 272.501 | 7 | ↓ |