| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 19 | Yes |
Popular Name: [4-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-quinolyl]methanamine [4-(3,5-dimethyl-1,2,4-triazol-1…
| 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) | 0.73 | 4.93 | -44.65 | 3 | 5 | 1 | 71 | 254.317 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.73 | 4.48 | -9.39 | 2 | 5 | 0 | 70 | 253.309 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
