| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 16 | No |
Popular Name: 4-[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]-1,4-thiazepane 4-[4-(chloromethyl)-2,5-dimethyl…
| 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) | 2.00 | 7.51 | -5.07 | 0 | 3 | 0 | 21 | 259.806 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.00 | 7.64 | -28.4 | 1 | 3 | 1 | 22 | 260.814 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
