| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 22 | Yes |
Popular Name: 5-[4-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pentanenitrile 5-[4-[(5-isopropyl-1,2,4-oxadiaz…
| 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) | 1.27 | 6.15 | -49.48 | 1 | 6 | 1 | 70 | 306.434 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.27 | 4.08 | -11.79 | 0 | 6 | 0 | 69 | 305.426 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.27 | 6.12 | -41.75 | 1 | 6 | 1 | 70 | 306.434 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.27 | 8.21 | -126.25 | 2 | 6 | 2 | 72 | 307.442 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
