In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 14 | Yes |
Popular Name: (1R,2R,4R)-4-tert-butyl-N2,N2-dimethyl-cyclohexane-1,2-diamine (1R,2R,4R)-4-tert-butyl-N2,N2-di…
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) | 1.94 | 5.04 | -118.4 | 4 | 2 | 2 | 32 | 200.37 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.94 | 2.94 | -38.26 | 3 | 2 | 1 | 31 | 199.362 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.94 | 4.67 | -30.09 | 3 | 2 | 1 | 30 | 199.362 | 2 | ↓ |