In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 4th, 2009 | 9 | Yes |
Popular Name: Piperazine, 2,3,5-trimethyl-, (2alpha,3alpha,5beta)- (9CI) Piperazine, 2,3,5-trimethyl-, (2…
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CAS Number: 758645-85-1
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) | 0.73 | 0.68 | -33.63 | 3 | 2 | 1 | 29 | 129.227 | 0 | ↓ |
Hi High (pH 8-9.5) | 0.73 | 0.6 | -32.39 | 3 | 2 | 1 | 29 | 129.227 | 0 | ↓ |
Lo Low (pH 4.5-6) | 0.73 | 1.88 | -104.91 | 4 | 2 | 2 | 33 | 130.235 | 0 | ↓ |