In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2008 | 19 | Yes |
Popular Name: N,N-diisopropyl-N'-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]ethane-1,2-diamine N,N-diisopropyl-N'-[(1R,5S)-8-me…
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) | 2.27 | 9.04 | -77.49 | 3 | 3 | 2 | 21 | 269.477 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.27 | 7.05 | -28.42 | 2 | 3 | 1 | 20 | 268.469 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.27 | 4.84 | -34.17 | 2 | 3 | 1 | 23 | 268.469 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.27 | 6.6 | -108.76 | 3 | 3 | 2 | 24 | 269.477 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.27 | 9.3 | -188.15 | 4 | 3 | 3 | 25 | 270.485 | 6 | ↓ |