| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 18 | Yes |
Popular Name: (S)-2-Amino-N-(3-cyano-benzyl)-3,N-dimethyl-butyramide (S)-2-Amino-N-(3-cyano-benzyl)-3…
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CAS Number: 1309035-00-4
| 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) | 0.78 | 5.37 | -45.33 | 3 | 4 | 1 | 72 | 246.334 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.78 | 5.08 | -7.6 | 2 | 4 | 0 | 70 | 245.326 | 4 | ↓ |
