| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: (1R,2S)-1-(azocan-1-yl)-1-(3-methyl-2-thienyl)butan-2-amine (1R,2S)-1-(azocan-1-yl)-1-(3-met…
| 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) | 3.86 | 7.83 | -42.34 | 3 | 2 | 1 | 31 | 281.489 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.86 | 7.45 | -1.02 | 2 | 2 | 0 | 29 | 280.481 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.86 | 8.11 | -28.7 | 3 | 2 | 1 | 30 | 281.489 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.86 | 8.44 | -108.39 | 4 | 2 | 2 | 32 | 282.497 | 4 | ↓ |
