| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 20 | Yes |
Popular Name: N-(4H-1,2,4-triazol-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)methanamine N-(4H-1,2,4-triazol-3-ylmethyl)-…
| 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) | 0.09 | 4.45 | -51.91 | 3 | 7 | 1 | 86 | 279.32 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.09 | 4.28 | -43.93 | 2 | 7 | 0 | 84 | 278.312 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.09 | 3.1 | -13.73 | 2 | 7 | 0 | 81 | 278.312 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
