| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 18 | Yes |
Popular Name: (3S)-1-[(1S)-1-cyclohexylpropyl]-3-methyl-1,5-diazocane (3S)-1-[(1S)-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) | 3.81 | 8.89 | -107.53 | 3 | 2 | 2 | 21 | 254.462 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.81 | 7.57 | -35.16 | 2 | 2 | 1 | 20 | 253.454 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
