| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 20 | Yes |
Popular Name: [4-[(1S)-3-amino-1-ethyl-propyl]-1,4-diazepan-1-yl]-(2-furyl)methanone [4-[(1S)-3-amino-1-ethyl-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) | 0.74 | 5.52 | -127.55 | 4 | 5 | 2 | 66 | 281.4 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | 5.13 | -40.09 | 3 | 5 | 1 | 64 | 280.392 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.74 | 4.26 | -55.21 | 3 | 5 | 1 | 64 | 280.392 | 5 | ↓ |
