| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 16 | No |
Popular Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-thiazepane 4-[(5-chloro-1,3-dimethyl-pyrazo…
| 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) | 1.80 | 7.24 | -36.28 | 1 | 3 | 1 | 22 | 260.814 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.80 | 5.31 | -4.8 | 0 | 3 | 0 | 21 | 259.806 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
