| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 20 | Yes |
Popular Name: (3S)-1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-3,5,5-trimethyl-hexan-1-one (3S)-1-[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) | 1.62 | 5.31 | -48.36 | 3 | 4 | 1 | 51 | 284.468 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.62 | 7.11 | -122.5 | 4 | 4 | 2 | 52 | 285.476 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.62 | 6.72 | -38.1 | 3 | 4 | 1 | 51 | 284.468 | 6 | ↓ |
