| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 18 | Yes |
Popular Name: (2R)-2-amino-1-(1,4-diazepan-1-yl)-2-phenyl-propan-1-one (2R)-2-amino-1-(1,4-diazepan-1-y…
| 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) | 0.67 | 3.62 | -42.79 | 4 | 4 | 1 | 63 | 248.35 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.67 | 2.23 | -8.22 | 3 | 4 | 0 | 58 | 247.342 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.67 | 3.79 | -100.05 | 5 | 4 | 2 | 65 | 249.358 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
