| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 21 | Yes |
Popular Name: 1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-3-(p-tolyl)propan-1-one 1-[4-(2-aminoethyl)-1,4-diazepan…
| 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) | 1.40 | 6.25 | -49.51 | 3 | 4 | 1 | 51 | 290.431 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.40 | 8.03 | -124.06 | 4 | 4 | 2 | 52 | 291.439 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
