| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: (1R,2S)-1-(azepan-1-yl)-1-(5-bromo-2-thienyl)butan-2-amine (1R,2S)-1-(azepan-1-yl)-1-(5-bro…
| 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) | 3.91 | 6.68 | -44.64 | 3 | 2 | 1 | 31 | 332.331 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.91 | 6.38 | -1.17 | 2 | 2 | 0 | 29 | 331.323 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.91 | 7.71 | -31.33 | 3 | 2 | 1 | 30 | 332.331 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.91 | 8.03 | -118.88 | 4 | 2 | 2 | 32 | 333.339 | 4 | ↓ |
