| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2012 | 18 | No |
Popular Name: Boc-(S)-3-Amino-3-phenylpropanal Boc-(S)-3-Amino-3-phenylpropanal
Find On: PubMed — Wikipedia — Google
CAS Number: 135865-78-0
| 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) | 0.66 | 5.46 | -5.87 | 2 | 4 | 0 | 69 | 249.31 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.66 | 5.8 | -45.53 | 3 | 4 | 1 | 71 | 250.318 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0657415A1; US5616726; USRE36718 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.