| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 14 | Yes |
Popular Name: 1-(pyridin-4-ylmethyl)-1,4-diazepane 1-(pyridin-4-ylmethyl)-1,4-diaze…
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CAS Number: 199938-13-1
1-(4-pyridinylmethyl)-1,4-diazepane tris(4-methylbenzenesulfonate)
| 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) | 0.02 | 3.45 | -36.35 | 2 | 3 | 1 | 29 | 192.286 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.02 | 1.37 | -3.85 | 1 | 3 | 0 | 28 | 191.278 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.02 | 2.61 | -40.33 | 2 | 3 | 1 | 33 | 192.286 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.02 | 3.06 | -81.86 | 3 | 3 | 2 | 34 | 193.294 | 2 | ↓ |
