| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 23 | No |
Popular Name: 3-[isobutyl-[[5-(p-tolyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]amino]propanenitrile 3-[isobutyl-[[5-(p-tolyl)-2-thio…
| 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) | 2.71 | 9.26 | -50.51 | 1 | 5 | 1 | 59 | 331.465 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.71 | 7.6 | -10.53 | 0 | 5 | 0 | 58 | 330.457 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
