In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 38 | Yes |
Popular Name: N,N,N',N'-tetrakis[2-(2-pyridyl)ethyl]butane-1,4-diamine N,N,N',N'-tetrakis[2-(2-pyridyl)…
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) | 3.45 | 16.98 | -106.27 | 2 | 6 | 2 | 60 | 510.73 | 17 | ↓ |
Hi High (pH 8-9.5) | 3.45 | 12.71 | -13.71 | 0 | 6 | 0 | 58 | 508.714 | 17 | ↓ |
Hi High (pH 8-9.5) | 3.45 | 14.87 | -44.52 | 1 | 6 | 1 | 59 | 509.722 | 17 | ↓ |
Lo Low (pH 4.5-6) | 3.45 | 17.31 | -187.12 | 3 | 6 | 3 | 62 | 511.738 | 17 | ↓ |