In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 16 | Yes |
Popular Name: (2S)-N2,3,3-trimethyl-N2-(4-methylcyclohexyl)butane-1,2-diamine (2S)-N2,3,3-trimethyl-N2-(4-meth…
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) | 2.51 | 5.74 | -118.36 | 4 | 2 | 2 | 32 | 228.424 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.51 | 4.72 | -42.84 | 3 | 2 | 1 | 31 | 227.416 | 4 | ↓ |