| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 19 | Yes |
Popular Name: [4-(2-aminoethyl)-1,4-diazepan-1-yl]-(4-fluorophenyl)methanone [4-(2-aminoethyl)-1,4-diazepan-1…
| 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) | 0.04 | 3.74 | -49.97 | 3 | 4 | 1 | 51 | 266.34 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.04 | 5.53 | -125.18 | 4 | 4 | 2 | 52 | 267.348 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.04 | 5.14 | -41.01 | 3 | 4 | 1 | 51 | 266.34 | 3 | ↓ |
