| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2010 | 20 | No |
Popular Name: 3-[ethyl-[[3-(2-thienylmethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]methyl]amino]propanenitrile 3-[ethyl-[[3-(2-thienylmethyl)-5…
| 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) | 1.26 | 8.2 | -18.11 | 1 | 5 | 0 | 61 | 307.448 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.99 | 7.96 | -46.99 | 0 | 5 | -1 | 58 | 306.44 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
