| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2009 | 20 | Yes |
Popular Name: 4-[(1S)-2-amino-1-[(3R,5R)-3,5-dimethyl-1-piperidyl]ethyl]-2-methoxy-phenol 4-[(1S)-2-amino-1-[(3R,5R)-3,5-d…
| 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) | 1.69 | 4.77 | -130.58 | 5 | 4 | 2 | 62 | 280.412 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 5.22 | -54.82 | 3 | 4 | 0 | 63 | 278.396 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 5.57 | -140.33 | 4 | 4 | 1 | 64 | 279.404 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 4.42 | -32.93 | 4 | 4 | 1 | 60 | 279.404 | 4 | ↓ |
