| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2005 | 14 | No |
Popular Name: 3-(3-Nitro-[1,2,4]triazol-1-yl)-propionic acid methyl ester 3-(3-Nitro-[1,2,4]triazol-1-yl)-…
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CAS Number: 105958-58-5
| 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) | -0.44 | 7.63 | -13.5 | 0 | 8 | 0 | 103 | 200.154 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.