In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 31 | Yes |
Popular Name: (4-benzylpiperazin-1-yl)-[3-(2-fluorophenyl)-1-methyl-thieno[4,5-d]pyrazol-5-yl]methanone (4-benzylpiperazin-1-yl)-[3-(2-f…
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) | 4.21 | 10.25 | -13.37 | 0 | 5 | 0 | 41 | 434.54 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.21 | 12.59 | -55.51 | 1 | 5 | 1 | 43 | 435.548 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.