| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 26 | No |
Popular Name: N-(3-isobutoxypropyl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide N-(3-isobutoxypropyl)-3-[3-(p-to…
| 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) | 2.76 | 9.53 | -12.25 | 2 | 6 | 0 | 72 | 376.526 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.49 | 9.62 | -48.65 | 1 | 6 | -1 | 69 | 375.518 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
