| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 18 | Yes |
Popular Name: 2-[5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine 2-[5-[(4-methyl-1,4-diazepan-1-y…
| 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) | 0.19 | 3.21 | -191.68 | 5 | 6 | 3 | 75 | 256.374 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.19 | 0.78 | -100.58 | 4 | 6 | 2 | 74 | 255.366 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.19 | 0.54 | -38.4 | 3 | 6 | 1 | 73 | 254.358 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.19 | 1.16 | -91.49 | 4 | 6 | 2 | 74 | 255.366 | 3 | ↓ |
