In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2008 | 15 | Yes |
Popular Name: N',N'-dimethyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]ethane-1,2-diamine N',N'-dimethyl-N-[(1R,5S)-8-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) | 0.92 | 2.18 | -33.29 | 2 | 3 | 1 | 23 | 212.361 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.92 | 4.65 | -28.96 | 2 | 3 | 1 | 20 | 212.361 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.92 | 5.02 | -110.33 | 3 | 3 | 2 | 24 | 213.369 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.92 | 4.53 | -96.82 | 3 | 3 | 2 | 24 | 213.369 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.92 | 7.12 | -79.13 | 3 | 3 | 2 | 21 | 213.369 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.92 | 7.42 | -187.93 | 4 | 3 | 3 | 25 | 214.377 | 4 | ↓ |