| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 17 | Yes |
Popular Name: (5S)-1-[(1R,2S,4S)-2,4-dimethylcyclohexyl]-5-ethyl-1,4-diazepane (5S)-1-[(1R,2S,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) | 3.28 | 7.33 | -30.53 | 2 | 2 | 1 | 16 | 239.427 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.28 | 7.17 | -34.44 | 2 | 2 | 1 | 20 | 239.427 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.28 | 8.43 | -109.98 | 3 | 2 | 2 | 21 | 240.435 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
