| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 18 | Yes |
Popular Name: 2-(azocan-1-yl)-N-[(4-bromo-2-thienyl)methyl]ethanamine 2-(azocan-1-yl)-N-[(4-bromo-2-th…
| 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) | 4.08 | 7.99 | -34.46 | 2 | 2 | 1 | 16 | 332.331 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.08 | 6.68 | -1.32 | 1 | 2 | 0 | 15 | 331.323 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.08 | 9.34 | -121.58 | 3 | 2 | 2 | 21 | 333.339 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
