| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 14th, 2011 | 18 | Yes |
Popular Name: 3-(aminomethyl)-4-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-one 3-(aminomethyl)-4-(3,4-dimethoxy…
| 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) | -0.48 | 1.46 | -60.11 | 4 | 7 | 1 | 97 | 251.266 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.48 | 1.08 | -12.57 | 3 | 7 | 0 | 95 | 250.258 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
