| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 15 | Yes |
Popular Name: [4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]thiazol-2-yl]methanamine [4-[(3,5-dimethyl-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) | -0.68 | 2.41 | -49.36 | 3 | 5 | 1 | 71 | 224.313 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.68 | 2 | -11.05 | 2 | 5 | 0 | 70 | 223.305 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
