| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2009 | 18 | Yes |
Popular Name: 4-[(1R)-2-amino-1-(4-methyl-1-piperidyl)ethyl]-2-bromo-phenol 4-[(1R)-2-amino-1-(4-methyl-1-pi…
| 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) | 2.40 | 2.48 | -49.1 | 4 | 3 | 1 | 51 | 314.247 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.40 | 3.43 | -74.86 | 3 | 3 | 0 | 54 | 313.239 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.40 | 5.38 | -47.12 | 3 | 3 | 0 | 54 | 313.239 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.40 | 4.29 | -38.28 | 4 | 3 | 1 | 51 | 314.247 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 4.85 | -131.28 | 5 | 3 | 2 | 52 | 315.255 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
