| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 16 | Yes |
Popular Name: (2R)-2-[(2R)-2-methylazepan-1-yl]-2-(3-thienyl)ethanamine (2R)-2-[(2R)-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) | 2.06 | 3.99 | -45.08 | 3 | 2 | 1 | 31 | 239.408 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.06 | 3.19 | -1.6 | 2 | 2 | 0 | 29 | 238.4 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.06 | 5.59 | -121.56 | 4 | 2 | 2 | 32 | 240.416 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.06 | 5.21 | -27.74 | 3 | 2 | 1 | 30 | 239.408 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
