| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 20 | Yes |
Popular Name: 1-[(6-chloro-3-pyridyl)methyl]-4-(2,2,2-trifluoroethyl)-1,4-diazepane 1-[(6-chloro-3-pyridyl)methyl]-4…
| 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) | 2.61 | 6.38 | -48.07 | 1 | 3 | 1 | 21 | 308.755 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.61 | 4.31 | -7.11 | 0 | 3 | 0 | 19 | 307.747 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
