In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 18 | Yes |
Popular Name: (3S,4R)-N-ethyl-3-methyl-1-[[(1R,2S)-2-methylcyclohexyl]methyl]piperidin-4-amine (3S,4R)-N-ethyl-3-methyl-1-[[(1R…
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) | 3.90 | 8.39 | -33.29 | 2 | 2 | 1 | 16 | 253.454 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.90 | 7.83 | -34.35 | 2 | 2 | 1 | 20 | 253.454 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.90 | 9.42 | -102 | 3 | 2 | 2 | 21 | 254.462 | 4 | ↓ |