| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 16 | Yes |
Popular Name: (S)-2-Amino-N-(3-cyano-benzyl)-N-methyl-propionamide (S)-2-Amino-N-(3-cyano-benzyl)-N…
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CAS Number: 1307558-65-1
| 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) | 0.00 | 3.87 | -46.41 | 3 | 4 | 1 | 72 | 218.28 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.00 | 3.54 | -9.71 | 2 | 4 | 0 | 70 | 217.272 | 3 | ↓ |
