In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 20 | Yes |
Popular Name: (1R)-N'-cyclohexyl-N,N-diethyl-1-phenyl-ethane-1,2-diamine (1R)-N'-cyclohexyl-N,N-diethyl-1…
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) | 4.37 | 10.66 | -117.54 | 3 | 2 | 2 | 21 | 276.468 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.37 | 9.03 | -0.79 | 1 | 2 | 0 | 15 | 274.452 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.37 | 9.54 | -28.62 | 2 | 2 | 1 | 16 | 275.46 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.37 | 8.65 | -36.02 | 2 | 2 | 1 | 20 | 275.46 | 7 | ↓ |