| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2014 | 20 | No |
Popular Name: Boc-(S)-3-amino-3-(2-methylphenyl)propionicacid Boc-(S)-3-amino-3-(2-methylpheny…
Find On: PubMed — Wikipedia — Google
CAS Number: 499995-74-3
| 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) | 0.49 | 6.89 | -45.97 | 3 | 5 | 0 | 94 | 279.336 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.49 | 6.63 | -48.98 | 2 | 5 | -1 | 92 | 278.328 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.