In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 37 | Yes |
Popular Name: N,N,N',N'-tetrakis[2-(2-pyridyl)ethyl]propane-1,3-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) | 3.18 | 14.08 | -43.57 | 1 | 6 | 1 | 59 | 495.695 | 16 | ↓ |
Hi High (pH 8-9.5) | 3.18 | 11.92 | -12.74 | 0 | 6 | 0 | 58 | 494.687 | 16 | ↓ |
Mid Mid (pH 6-8) | 3.18 | 16.21 | -115.83 | 2 | 6 | 2 | 60 | 496.703 | 16 | ↓ |
Mid Mid (pH 6-8) | 3.18 | 14.44 | -89.9 | 2 | 6 | 2 | 60 | 496.703 | 16 | ↓ |
Lo Low (pH 4.5-6) | 3.18 | 14.82 | -155.8 | 3 | 6 | 3 | 62 | 497.711 | 16 | ↓ |