| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 18 | Yes |
Popular Name: 2-(azocan-1-yl)-N-[(5-chloro-2-thienyl)methyl]ethanamine 2-(azocan-1-yl)-N-[(5-chloro-2-t…
| 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) | 4.14 | 8 | -35.45 | 2 | 2 | 1 | 16 | 287.88 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.14 | 6.69 | -1.63 | 1 | 2 | 0 | 15 | 286.872 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.14 | 9.35 | -123.47 | 3 | 2 | 2 | 21 | 288.888 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
