In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 9th, 2009 | 28 | Yes |
Popular Name: 2-[4-(cyclopropylBLAHyl)piperazin-1-yl]-N,N-dimethyl-ethanamine 2-[4-(cyclopropylBLAHyl)piperazi…
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) | 3.58 | 11.86 | -41.75 | 1 | 5 | 1 | 37 | 400.616 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.58 | 9.4 | -6.77 | 0 | 5 | 0 | 35 | 399.608 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.58 | 14.11 | -123.92 | 2 | 5 | 2 | 38 | 401.624 | 5 | ↓ |