| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2011 | 16 | Yes |
Popular Name: 2,2-dimethyl-1-[(1R,3R)-3-methylcyclohexyl]-1,4-diazepane 2,2-dimethyl-1-[(1R,3R)-3-methyl…
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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) | 2.63 | 6.82 | -106.17 | 3 | 2 | 2 | 21 | 226.408 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 5 | -35.87 | 2 | 2 | 1 | 20 | 225.4 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 4.14 | -0.52 | 1 | 2 | 0 | 15 | 224.392 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.63 | 5.78 | -26.56 | 2 | 2 | 1 | 16 | 225.4 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
