In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 17 | Yes |
Popular Name: N-[(1-aminocyclohexyl)methyl]-N',N'-dimethyl-N-propyl-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) | 2.64 | 6.35 | -104.16 | 4 | 3 | 2 | 35 | 243.439 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.64 | 7.83 | -101.12 | 4 | 3 | 2 | 35 | 243.439 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.64 | 3.87 | -36.39 | 3 | 3 | 1 | 34 | 242.431 | 7 | ↓ |