In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2009 | 19 | Yes |
Popular Name: (1R,2S,5S)-2-isopropyl-5-methyl-N-[(1S)-1-(3-pyridyl)ethyl]cyclohexanamine (1R,2S,5S)-2-isopropyl-5-methyl-…
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) | 4.47 | 8.44 | -38.28 | 2 | 2 | 1 | 29 | 261.433 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.47 | 8.92 | -101.93 | 3 | 2 | 2 | 31 | 262.441 | 4 | ↓ |