| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 18 | No |
Popular Name: 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-nitro-aniline 2-(5-cyclopropyl-1H-1,2,4-triazo…
| 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) | 1.33 | 5.36 | -8.23 | 3 | 7 | 0 | 113 | 245.242 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.33 | 5.11 | -35.5 | 2 | 7 | -1 | 112 | 244.234 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
