In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 28th, 2010 | 13 | Yes |
Popular Name: N'-ethyl-N-methyl-N-[(1S)-1-methylbutyl]propane-1,3-diamine N'-ethyl-N-methyl-N-[(1S)-1-meth…
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) | 2.19 | 6.85 | -96.81 | 3 | 2 | 2 | 21 | 188.359 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.19 | 5.49 | -31.31 | 2 | 2 | 1 | 16 | 187.351 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.19 | 4.93 | -35.39 | 2 | 2 | 1 | 20 | 187.351 | 8 | ↓ |