In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 16 | Yes |
Popular Name: N',N',2-trimethyl-N-[(1S)-1-(2-pyridyl)ethyl]propane-1,2-diamine N',N',2-trimethyl-N-[(1S)-1-(2-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) | 1.72 | 6.64 | -102.05 | 3 | 3 | 2 | 34 | 223.364 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.73 | 5.59 | -28.41 | 2 | 3 | 1 | 29 | 222.356 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.73 | 6.24 | -84.74 | 3 | 3 | 2 | 31 | 223.364 | 5 | ↓ |