In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 18 | Yes |
Popular Name: (1S)-N-[[(1S,2S)-2-methylcyclohexyl]methyl]-1-[(3R)-1-methyl-3-piperidyl]ethanamine (1S)-N-[[(1S,2S)-2-methylcyclohe…
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) | 3.76 | 9.49 | -99.39 | 3 | 2 | 2 | 21 | 254.462 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.76 | 8.4 | -31.94 | 2 | 2 | 1 | 16 | 253.454 | 4 | ↓ |