| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2008 | 12 | Yes |
Popular Name: 3-Amino-3-(5-bromothiophen-2-yl)propanoic acid 3-Amino-3-(5-bromothiophen-2-yl)…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 204135-66-0 , [204135-66-0]
| 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) | -0.22 | 2.87 | -40.46 | 3 | 3 | 0 | 68 | 250.117 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.22 | 2.53 | -40.78 | 2 | 3 | -1 | 66 | 249.109 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.