| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 15 | Yes |
Popular Name: 1-(o-tolyl)-N-(4H-1,2,4-triazol-3-ylmethyl)methanamine 1-(o-tolyl)-N-(4H-1,2,4-triazol-…
| 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) | 0.86 | 4.58 | -6.73 | 2 | 4 | 0 | 54 | 202.261 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.86 | 5.78 | -33.63 | 2 | 4 | 0 | 56 | 202.261 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.86 | 4.6 | -8.47 | 2 | 4 | 0 | 54 | 202.261 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.86 | 5.94 | -48.37 | 3 | 4 | 1 | 58 | 203.269 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.86 | 5.8 | -33.9 | 2 | 4 | 0 | 56 | 202.261 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
