| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 14th, 2010 | 23 | No |
Popular Name: N-(2,1,3-benzothiadiazol-4-ylmethyl)-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]ethanamine N-(2,1,3-benzothiadiazol-4-ylmet…
| 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) | 2.76 | 5.84 | -11.71 | 0 | 5 | 0 | 47 | 329.473 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.76 | 8.32 | -43.63 | 1 | 5 | 1 | 48 | 330.481 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
