In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2008 | 17 | Yes |
Popular Name: N,N-diethyl-N'-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]ethane-1,2-diamine N,N-diethyl-N'-[(1R,5S)-8-methyl…
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) | 1.68 | 8.45 | -78.7 | 3 | 3 | 2 | 21 | 241.423 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.68 | 6.31 | -28.62 | 2 | 3 | 1 | 20 | 240.415 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.68 | 3.85 | -34.08 | 2 | 3 | 1 | 23 | 240.415 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.68 | 6.22 | -98.16 | 3 | 3 | 2 | 24 | 241.423 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.68 | 6.01 | -109.79 | 3 | 3 | 2 | 24 | 241.423 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.68 | 8.54 | -190.43 | 4 | 3 | 3 | 25 | 242.431 | 6 | ↓ |