| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2009 | 21 | Yes |
Popular Name: 4-[(1R)-2-amino-1-[(3R,5S)-3,5-dimethyl-1-piperidyl]ethyl]-2-chloro-6-methoxy-phenol 4-[(1R)-2-amino-1-[(3R,5S)-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) | 2.53 | 2.92 | -53.22 | 4 | 4 | 1 | 60 | 313.849 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.53 | 3.83 | -76.74 | 3 | 4 | 0 | 63 | 312.841 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.53 | 6.24 | -50.79 | 3 | 4 | 0 | 63 | 312.841 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.53 | 5.32 | -35.73 | 4 | 4 | 1 | 60 | 313.849 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.53 | 6.07 | -136.05 | 4 | 4 | 1 | 64 | 313.849 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
