| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2011 | 18 | Yes |
Popular Name: (3R)-3-isobutyl-1-[(1S,3R)-3-methylcyclohexyl]-1,4-diazepane (3R)-3-isobutyl-1-[(1S,3R)-3-met…
| 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 | 8.41 | -32.64 | 2 | 2 | 1 | 16 | 253.454 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.81 | 9.36 | -112.24 | 3 | 2 | 2 | 21 | 254.462 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
