| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 13th, 2008 | 16 | Yes |
Popular Name: (2S)-2-(azepan-1-yl)-2-(3-methyl-2-thienyl)ethanamine (2S)-2-(azepan-1-yl)-2-(3-methyl…
| 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) | 2.42 | 4.79 | -39.35 | 3 | 2 | 1 | 31 | 239.408 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.42 | 5.83 | -28.78 | 3 | 2 | 1 | 30 | 239.408 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.42 | 6.66 | -118.13 | 4 | 2 | 2 | 32 | 240.416 | 3 | ↓ |
