| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 13th, 2009 | 18 | Yes |
Popular Name: (1S)-1-[5-(5-bromo-2-fluoro-phenyl)-2-thienyl]butan-1-amine (1S)-1-[5-(5-bromo-2-fluoro-phen…
| 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) | 3.58 | 8.42 | -43.16 | 3 | 1 | 1 | 28 | 329.258 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.58 | 8.11 | -3.21 | 2 | 1 | 0 | 26 | 328.25 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
