| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 17 | Yes |
Popular Name: 2-[5-(1,4-diazepan-1-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine 2-[5-(1,4-diazepan-1-ylmethyl)-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) | -0.40 | -0.42 | -98.25 | 5 | 6 | 2 | 83 | 241.339 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.40 | -0.69 | -37.18 | 4 | 6 | 1 | 81 | 240.331 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.40 | -1.67 | -93.42 | 5 | 6 | 2 | 86 | 241.339 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.40 | 0.41 | -194.31 | 6 | 6 | 3 | 88 | 242.347 | 3 | ↓ |
