| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 13 | Yes |
Popular Name: (1S)-1-[5-(3-furyl)-4H-1,2,4-triazol-3-yl]ethanamine (1S)-1-[5-(3-furyl)-4H-1,2,4-tri…
| 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) | -1.58 | 0.99 | -41.41 | 4 | 5 | 1 | 82 | 179.203 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.58 | 0.84 | -8.27 | 3 | 5 | 0 | 81 | 178.195 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.58 | 0.85 | -41.72 | 3 | 5 | 0 | 81 | 178.195 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
