| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 16 | Yes |
Popular Name: (2R)-2-[(2S)-2-methylazepan-1-yl]-2-[(3S)-tetrahydrofuran-3-yl]ethanamine (2R)-2-[(2S)-2-methylazepan-1-yl…
| 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) | 1.36 | 3.89 | -118.62 | 4 | 3 | 2 | 41 | 228.38 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.36 | 2.22 | -1.76 | 2 | 3 | 0 | 38 | 226.364 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.36 | 2.71 | -47.73 | 3 | 3 | 1 | 40 | 227.372 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.36 | 4.31 | -29.87 | 3 | 3 | 1 | 40 | 227.372 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
