In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 18 | Yes |
Popular Name: (1R,2S,4R)-N2-[(1S)-1,3-dimethylbutyl]-N1-ethyl-N2,4-dimethyl-cyclohexane-1,2-diamine (1R,2S,4R)-N2-[(1S)-1,3-dimethyl…
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) | 3.88 | 8.49 | -31.37 | 2 | 2 | 1 | 16 | 255.47 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.88 | 8.02 | -31.95 | 2 | 2 | 1 | 20 | 255.47 | 6 | ↓ |