| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 15 | Yes |
Popular Name: (S)-2-Amino-3-methyl-1-(4-methyl-[1,4]diazepan-1-yl)-butan-1-one (S)-2-Amino-3-methyl-1-(4-methyl…
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CAS Number: 1307585-40-5
| 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) | -0.19 | 4.22 | -103.99 | 4 | 4 | 2 | 52 | 215.341 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.19 | 1.95 | -5.5 | 2 | 4 | 0 | 50 | 213.325 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.19 | 3.94 | -44.34 | 3 | 4 | 1 | 51 | 214.333 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.19 | 2.23 | -42.74 | 3 | 4 | 1 | 51 | 214.333 | 2 | ↓ |
