| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2011 | 20 | No |
Popular Name: Boc-(S)-3-Amino-3-(4-chlorophenyl)propionic acid Boc-(S)-3-Amino-3-(4-chloropheny…
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CAS Number: 479064-90-9
| 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) | 0.77 | 7.19 | -49.19 | 3 | 5 | 0 | 94 | 299.754 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.77 | 6.92 | -45.7 | 2 | 5 | -1 | 92 | 298.746 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.