| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2011 | 16 | Yes |
Popular Name: 3,3-dimethyl-1-[(1R,3S)-3-methylcyclohexyl]-1,4-diazepane 3,3-dimethyl-1-[(1R,3S)-3-methyl…
| 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) | 2.98 | 6.47 | -30.8 | 2 | 2 | 1 | 16 | 225.4 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.98 | 7.82 | -104.9 | 3 | 2 | 2 | 21 | 226.408 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
