In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2011 | 17 | No |
Popular Name: 3-piperazin-1-yl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 3-piperazin-1-yl-2,4,6,7-tetrahy…
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) | -0.58 | 0.29 | -54.11 | 3 | 6 | 1 | 83 | 257.339 | 1 | ↓ |
Hi High (pH 8-9.5) | -0.58 | -0.92 | -14.8 | 2 | 6 | 0 | 78 | 256.331 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.