In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 20 | Yes |
Popular Name: (1S,2R,4R)-N2-[(1R)-1-cyclopropylethyl]-N2-methyl-4-phenyl-cyclohexane-1,2-diamine (1S,2R,4R)-N2-[(1R)-1-cyclopropy…
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) | 3.13 | 9.26 | -124.12 | 4 | 2 | 2 | 32 | 274.452 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.13 | 7.45 | -42.14 | 3 | 2 | 1 | 31 | 273.444 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.13 | 8.98 | -32.17 | 3 | 2 | 1 | 30 | 273.444 | 4 | ↓ |