| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2010 | 21 | Yes |
Popular Name: 4-[[4-[(1R)-2-cyano-1-methyl-ethyl]-1,4-diazepan-1-yl]methyl]benzonitrile 4-[[4-[(1R)-2-cyano-1-methyl-eth…
| 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) | 1.45 | 8.65 | -47.33 | 1 | 4 | 1 | 55 | 283.399 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.45 | 6.72 | -11.03 | 0 | 4 | 0 | 54 | 282.391 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
