| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2014 | 20 | No |
Popular Name: Boc-(S)-3-amino-3-(2-chlorophenyl)propionicacid Boc-(S)-3-amino-3-(2-chloropheny…
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CAS Number: 500770-73-0
| 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) | 0.72 | 7.29 | -28.04 | 3 | 5 | 0 | 94 | 299.754 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.72 | 6.91 | -40.99 | 2 | 5 | -1 | 92 | 298.746 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.