| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2009 | 17 | Yes |
Popular Name: (2S)-2-(azocan-1-yl)-2-(5-chloro-2-thienyl)ethanamine (2S)-2-(azocan-1-yl)-2-(5-chloro…
| 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) | 3.35 | 5.98 | -47.58 | 3 | 2 | 1 | 31 | 273.853 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.35 | 5.64 | -0.99 | 2 | 2 | 0 | 29 | 272.845 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.35 | 7.03 | -125.73 | 4 | 2 | 2 | 32 | 274.861 | 3 | ↓ |
