In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 19 | Yes |
Popular Name: (1R,2S,5R)-2-(aminomethyl)-5-ethyl-N-methyl-N-(2-pyridylmethyl)cyclohexanamine (1R,2S,5R)-2-(aminomethyl)-5-eth…
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) | 1.84 | 5.22 | -45.34 | 3 | 3 | 1 | 44 | 262.421 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.84 | 5.26 | -91.03 | 4 | 3 | 2 | 45 | 263.429 | 5 | ↓ |