In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 19 | Yes |
Popular Name: [(1S,3S)-3-methyl-1-[2-[(2S)-1-methyl-2-piperidyl]ethylamino]cyclohexyl]methanol [(1S,3S)-3-methyl-1-[2-[(2S)-1-m…
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) | 2.64 | 6.29 | -96.53 | 4 | 3 | 2 | 41 | 270.461 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.64 | 5.08 | -32.83 | 3 | 3 | 1 | 37 | 269.453 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.64 | 3.99 | -33.15 | 3 | 3 | 1 | 40 | 269.453 | 5 | ↓ |