| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 18 | No |
Popular Name: (1R)-1-(2-nitrophenyl)-N-(4H-1,2,4-triazol-3-ylmethyl)ethanamine (1R)-1-(2-nitrophenyl)-N-(4H-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) | 0.92 | 6.31 | -34.66 | 2 | 7 | 0 | 102 | 247.258 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.92 | 6.45 | -51.58 | 3 | 7 | 1 | 104 | 248.266 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.92 | 5.5 | -11.65 | 2 | 7 | 0 | 99 | 247.258 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
