| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2011 | 16 | Yes |
Popular Name: (5S)-1-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-5-methyl-1,4-diazepane (5S)-1-[(1S,2R,4S)-2,4-dimethylc…
| 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) | 2.74 | 6.5 | -30.28 | 2 | 2 | 1 | 16 | 225.4 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.74 | 6.21 | -34.68 | 2 | 2 | 1 | 20 | 225.4 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.74 | 7.71 | -108.99 | 3 | 2 | 2 | 21 | 226.408 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
