| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: (1S,2S)-1-(azocan-1-yl)-1-(5-chloro-2-thienyl)butan-2-amine (1S,2S)-1-(azocan-1-yl)-1-(5-chl…
| 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) | 4.29 | 7.87 | -43.06 | 3 | 2 | 1 | 31 | 301.907 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.29 | 7.58 | -1.48 | 2 | 2 | 0 | 29 | 300.899 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.29 | 8.56 | -30.81 | 3 | 2 | 1 | 30 | 301.907 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.29 | 8.98 | -109.95 | 4 | 2 | 2 | 32 | 302.915 | 4 | ↓ |
