| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2004 | 21 | Yes |
Popular Name: 2-N-Boc-2-Aminomethyl-3-(4-chloro-phenyl)-propionic acid 2-N-Boc-2-Aminomethyl-3-(4-chlor…
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CAS Numbers: 626220-65-3 , N/A
(S)-3-((tert-Butoxycarbonyl)amino)-2-(4-chlorobenzyl)propanoic acid
2-N-Boc-2-Aminomethyl-3-(4-chloro-phenyl)-
2-N-Boc-2-Aminomethyl-3-(4-chloro-phenyl)-propionicacid
| 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) | 3.23 | 6.93 | -44.24 | 1 | 5 | -1 | 78 | 312.773 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.23 | -0.28 | -90.99 | 7 | 11 | 2 | 161 | 423.481 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 97% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.