In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 17 | Yes |
Popular Name: N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-N',N'-dimethyl-N-propyl-ethane-1,2-diamine N-[(1R,2R)-2-(aminomethyl)cycloh…
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) | 1.83 | 4.94 | -90.52 | 4 | 3 | 2 | 35 | 243.439 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.83 | 6.32 | -107.64 | 4 | 3 | 2 | 35 | 243.439 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.83 | 2.45 | -44.05 | 3 | 3 | 1 | 34 | 242.431 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.83 | 6.67 | -199.45 | 5 | 3 | 3 | 37 | 244.447 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.83 | 4.21 | -110.28 | 4 | 3 | 2 | 35 | 243.439 | 7 | ↓ |