| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2009 | 18 | Yes |
Popular Name: 4-[(1S)-2-amino-1-(4-methyl-1-piperidyl)ethyl]-2-bromo-phenol 4-[(1S)-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 | -50.29 | 4 | 3 | 1 | 51 | 314.247 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.40 | 3.66 | -76 | 3 | 3 | 0 | 54 | 313.239 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.40 | 5.13 | -47.66 | 3 | 3 | 0 | 54 | 313.239 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.40 | 4.9 | -34.21 | 4 | 3 | 1 | 51 | 314.247 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 4.86 | -132.01 | 5 | 3 | 2 | 52 | 315.255 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
