| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2011 | 15 | No |
Popular Name: 3-(3-nitrophenyl)-beta-alanine 3-(3-nitrophenyl)-beta-alanine
Find On: PubMed — Wikipedia — Google
CAS Number: 5678-47-7
| 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) | 0.36 | 4.52 | -41.09 | 3 | 6 | 0 | 114 | 210.189 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.36 | 4.13 | -39.62 | 2 | 6 | -1 | 112 | 209.181 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.