| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 16 | Yes |
Popular Name: (5S)-5-ethyl-1-[[(2S)-tetrahydropyran-2-yl]methyl]-1,4-diazepane (5S)-5-ethyl-1-[[(2S)-tetrahydro…
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| 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) | 2.01 | 5 | -31.22 | 2 | 3 | 1 | 26 | 227.372 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.00 | 4.25 | -34.21 | 2 | 3 | 1 | 29 | 227.372 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.00 | 3.05 | -1.94 | 1 | 3 | 0 | 24 | 226.364 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.01 | 6.19 | -106.87 | 3 | 3 | 2 | 30 | 228.38 | 3 | ↓ |
