| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2009 | 22 | Yes |
Popular Name: 4-[(1S)-2-amino-1-[(3S,5R)-3,5-dimethyl-1-piperidyl]ethyl]-2-chloro-6-ethoxy-phenol 4-[(1S)-2-amino-1-[(3S,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) | 2.90 | 4.08 | -51.69 | 4 | 4 | 1 | 60 | 327.876 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.90 | 6.53 | -51.77 | 3 | 4 | 0 | 63 | 326.868 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.90 | 5 | -68.8 | 3 | 4 | 0 | 63 | 326.868 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.90 | 6.25 | -36.01 | 4 | 4 | 1 | 60 | 327.876 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.90 | 6.91 | -136.99 | 4 | 4 | 1 | 64 | 327.876 | 5 | ↓ |
