| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 13 | Yes |
Popular Name: 1-(1H-pyrazol-3-yl)-N-(4H-1,2,4-triazol-3-ylmethyl)methanamine 1-(1H-pyrazol-3-yl)-N-(4H-1,2,4-…
None
| 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) | -0.93 | 1.57 | -40.59 | 3 | 6 | 0 | 85 | 178.199 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.92 | 0.33 | -9.9 | 3 | 6 | 0 | 82 | 178.199 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.92 | 1.69 | -55.2 | 4 | 6 | 1 | 87 | 179.207 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
