| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | Yes |
Popular Name: (2R,3S)-1-ethyl-2-(3-methyl-2-thienyl)azepan-3-amine (2R,3S)-1-ethyl-2-(3-methyl-2-th…
| 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) | 2.35 | 3.92 | -32.77 | 3 | 2 | 1 | 31 | 239.408 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.35 | 3.61 | -2.27 | 2 | 2 | 0 | 29 | 238.4 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.35 | 6.09 | -99.89 | 4 | 2 | 2 | 32 | 240.416 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.35 | 5.68 | -26.31 | 3 | 2 | 1 | 30 | 239.408 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
