In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2011 | 20 | Yes |
Popular Name: piperazin-1-ylBLAH piperazin-1-ylBLAH
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) | 2.38 | 6.9 | -41.77 | 3 | 4 | 1 | 49 | 269.372 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.38 | 5.59 | -5.76 | 2 | 4 | 0 | 44 | 268.364 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.38 | 7.03 | -91.04 | 4 | 4 | 2 | 50 | 270.38 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.