In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 17 | Yes |
Popular Name: (2S)-6-[(1-ethyl-4-piperidyl)-methyl-amino]hexan-2-ol (2S)-6-[(1-ethyl-4-piperidyl)-me…
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) | 1.92 | 4.57 | -33.84 | 2 | 3 | 1 | 28 | 243.415 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.92 | 4.35 | -32.96 | 2 | 3 | 1 | 28 | 243.415 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.92 | 6.81 | -96.79 | 3 | 3 | 2 | 29 | 244.423 | 7 | ↓ |