| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 15 | Yes |
Popular Name: 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-(3-thienylmethyl)methanamine 1-(4,5-dimethyl-1,2,4-triazol-3-…
| 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) | 0.20 | 6.08 | -51.87 | 2 | 4 | 1 | 47 | 223.325 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.20 | 4.72 | -11.36 | 1 | 4 | 0 | 43 | 222.317 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
