In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 13 | Yes |
Popular Name: (1R,2R,4R)-N2,4-diethyl-N2-methyl-cyclohexane-1,2-diamine (1R,2R,4R)-N2,4-diethyl-N2-methy…
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) | 1.67 | 4.95 | -115.57 | 4 | 2 | 2 | 32 | 186.343 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.67 | 2.97 | -38.24 | 3 | 2 | 1 | 31 | 185.335 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.67 | 4.6 | -28.17 | 3 | 2 | 1 | 30 | 185.335 | 3 | ↓ |