| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 17 | Yes |
Popular Name: (5S)-1-[(1R)-1-cyclohexylpropyl]-5-methyl-1,4-diazepane (5S)-1-[(1R)-1-cyclohexylpropyl]…
| 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) | 3.74 | 8.25 | -110.4 | 3 | 2 | 2 | 21 | 240.435 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.74 | 6.97 | -31.33 | 2 | 2 | 1 | 16 | 239.427 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.74 | 6.94 | -34.07 | 2 | 2 | 1 | 20 | 239.427 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.74 | 5.58 | 0.29 | 1 | 2 | 0 | 15 | 238.419 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
