| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 12 | Yes |
Popular Name: 2-Amino-1-(4-methyl-[1,4]diazepan-1-yl)-ethanone 2-Amino-1-(4-methyl-[1,4]diazepa…
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CAS Number: 1042564-27-1
| 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) | -1.37 | 2.25 | -103.58 | 4 | 4 | 2 | 52 | 173.26 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.37 | -0.65 | -9.28 | 2 | 4 | 0 | 50 | 171.244 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.37 | 1.87 | -42.01 | 3 | 4 | 1 | 51 | 172.252 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.37 | -0.26 | -45.23 | 3 | 4 | 1 | 51 | 172.252 | 1 | ↓ |
