| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2011 | 23 | No |
Popular Name: Boc-(S)-3-Amino-4-(4-nitrophenyl)butanoic acid Boc-(S)-3-Amino-4-(4-nitrophenyl…
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CAS Number: 127106-71-2
| 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) | 1.60 | 8.14 | -54.57 | 3 | 8 | 0 | 140 | 324.333 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.60 | 8.02 | -42.9 | 2 | 8 | -1 | 138 | 323.325 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.