| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 20 | Yes |
Popular Name: [4-[(2R)-3-amino-2-methyl-propyl]-1,4-diazepan-1-yl]-(4-pyridyl)methanone [4-[(2R)-3-amino-2-methyl-propyl…
| 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 | 5.22 | -121.2 | 4 | 5 | 2 | 65 | 278.4 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.67 | 4.85 | -41.46 | 3 | 5 | 1 | 64 | 277.392 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.67 | 3.78 | -51.33 | 3 | 5 | 1 | 64 | 277.392 | 4 | ↓ |
