In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 18 | Yes |
Popular Name: N-[(1-aminocyclohexyl)methyl]-N-isobutyl-N',N'-dimethyl-ethane-1,2-diamine N-[(1-aminocyclohexyl)methyl]-N-…
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) | 2.88 | 7.13 | -99.38 | 4 | 3 | 2 | 35 | 257.466 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.88 | 7.77 | -103.11 | 4 | 3 | 2 | 35 | 257.466 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.88 | 4.68 | -35.07 | 3 | 3 | 1 | 34 | 256.458 | 7 | ↓ |