| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 20 | Yes |
Popular Name: 2,2-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-1-phenyl-propan-1-one 2,2-dimethyl-3-(4-methyl-1,4-dia…
| 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) | 2.81 | 8.7 | -31.95 | 1 | 3 | 1 | 25 | 275.416 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.81 | 6.26 | -7.91 | 0 | 3 | 0 | 24 | 274.408 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.81 | 9.98 | -103.08 | 2 | 3 | 2 | 26 | 276.424 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
