| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 28th, 2010 | 20 | No |
Popular Name: 3-[ethyl-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]amino]propanenitrile 3-[ethyl-[(4-phenyl-5-thioxo-1,2…
| 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) | 0.64 | 10.47 | -15.64 | 0 | 5 | 0 | 50 | 287.392 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.64 | 12.45 | -51.3 | 1 | 5 | 1 | 51 | 288.4 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
