| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 16 | Yes |
Popular Name: 1-(3-methoxyphenyl)-N-(4H-1,2,4-triazol-3-ylmethyl)methanamine 1-(3-methoxyphenyl)-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) | 0.49 | 4.48 | -36.71 | 2 | 5 | 0 | 66 | 218.26 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.49 | 4.46 | -36.43 | 2 | 5 | 0 | 66 | 218.26 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.49 | 3.28 | -10.18 | 2 | 5 | 0 | 63 | 218.26 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.49 | 3.26 | -8.29 | 2 | 5 | 0 | 63 | 218.26 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.49 | 4.61 | -50.29 | 3 | 5 | 1 | 67 | 219.268 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
