| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 18 | Yes |
Popular Name: 5-oxo-N-(3-phenylprop-2-ynyl)-1,2-dihydro-1,2,4-triazole-3-carboxamide 5-oxo-N-(3-phenylprop-2-ynyl)-1,…
| 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) | 0.16 | 2.2 | -9.01 | 3 | 6 | 0 | 91 | 242.238 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.62 | -0.36 | -47.83 | 2 | 6 | -1 | 94 | 241.23 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.62 | 0.73 | -22.88 | 3 | 6 | 0 | 95 | 242.238 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
