| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | Yes |
Popular Name: (2R,3S)-2-(4-bromo-2-thienyl)-1-ethyl-azepan-3-amine (2R,3S)-2-(4-bromo-2-thienyl)-1-…
| 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) | 2.71 | 4.04 | -36.44 | 3 | 2 | 1 | 31 | 304.277 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.71 | 3.75 | -1.65 | 2 | 2 | 0 | 29 | 303.269 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.71 | 6.22 | -106.86 | 4 | 2 | 2 | 32 | 305.285 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.71 | 5.81 | -28.85 | 3 | 2 | 1 | 30 | 304.277 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
