| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 18 | Yes |
Popular Name: (S)-2-Amino-N-isopropyl-3-methyl-N-pyridin-3-ylmethyl-butyramide (S)-2-Amino-N-isopropyl-3-methyl…
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CAS Number: 1307653-61-7
| 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) | 0.48 | 4.2 | -42.37 | 3 | 4 | 1 | 61 | 250.366 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.48 | 3.92 | -6.32 | 2 | 4 | 0 | 59 | 249.358 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.48 | 4.67 | -88.9 | 4 | 4 | 2 | 62 | 251.374 | 5 | ↓ |
