In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2009 | 20 | Yes |
Popular Name: (1R,5S)-3-(aminomethyl)-N-cyclohexyl-N-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-3-(aminomethyl)-N-cycloh…
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) | 2.29 | 4.56 | -26.54 | 3 | 3 | 1 | 34 | 280.48 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.29 | 6.95 | -29.66 | 3 | 3 | 1 | 34 | 280.48 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.30 | 7.05 | -101.54 | 4 | 3 | 2 | 35 | 281.488 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.29 | 7.42 | -89.95 | 4 | 3 | 2 | 35 | 281.488 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.30 | 4.68 | -50.34 | 3 | 3 | 1 | 34 | 280.48 | 4 | ↓ |