In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 17 | Yes |
Popular Name: (1R,2S)-N1,N2-diethyl-N2-[(1S)-2-methoxy-1-methyl-ethyl]cyclohexane-1,2-diamine (1R,2S)-N1,N2-diethyl-N2-[(1S)-2…
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) | 2.58 | 4.75 | -27.95 | 2 | 3 | 1 | 29 | 243.415 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.58 | 3.98 | -0.88 | 1 | 3 | 0 | 24 | 242.407 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.58 | 6.27 | -27.17 | 2 | 3 | 1 | 26 | 243.415 | 7 | ↓ |