| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 18 | Yes |
Popular Name: (3S)-3-[4-(2-aminoethyl)-1,4-diazepan-1-yl]azepan-2-one (3S)-3-[4-(2-aminoethyl)-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) | -0.69 | 1.17 | -92.36 | 5 | 5 | 2 | 64 | 256.394 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.69 | 0.78 | -32.17 | 4 | 5 | 1 | 63 | 255.386 | 3 | ↓ |
