In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 17 | Yes |
Popular Name: (1S,2R)-2-ethyl-N-[(1S)-1-(3-pyridyl)ethyl]cyclohexanamine (1S,2R)-2-ethyl-N-[(1S)-1-(3-pyr…
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) | 3.47 | 7.96 | -36.51 | 2 | 2 | 1 | 29 | 233.379 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.47 | 8.43 | -98.36 | 3 | 2 | 2 | 31 | 234.387 | 4 | ↓ |