In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2009 | 17 | Yes |
Popular Name: (1R,2R,4R)-N2-cycloheptyl-N2,4-dimethyl-cyclohexane-1,2-diamine (1R,2R,4R)-N2-cycloheptyl-N2,4-d…
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) | 3.02 | 7.22 | -118.3 | 4 | 2 | 2 | 32 | 240.435 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.02 | 7.22 | -29.07 | 3 | 2 | 1 | 30 | 239.427 | 2 | ↓ |