| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 7th, 2011 | 20 | Yes |
Popular Name: 2,2-dimethyl-1-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]propan-1-one 2,2-dimethyl-1-[4-(3-pyridylmeth…
| 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) | 1.69 | 7.89 | -45.59 | 1 | 4 | 1 | 38 | 276.404 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.69 | 6 | -9.89 | 0 | 4 | 0 | 36 | 275.396 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
