In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2011 | 24 | Yes |
Popular Name: 6-[[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine 6-[[4-[3-(2,2,2-trifluoroethoxy)…
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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) | -0.11 | 5.33 | -44.59 | 5 | 8 | 1 | 108 | 350.369 | 8 | ↓ |
Mid Mid (pH 6-8) | -0.11 | 5.32 | -38.62 | 5 | 8 | 1 | 108 | 350.369 | 8 | ↓ |
Mid Mid (pH 6-8) | -0.11 | 3.07 | -10.16 | 4 | 8 | 0 | 106 | 349.361 | 8 | ↓ |
Lo Low (pH 4.5-6) | -0.11 | 5.67 | -91.74 | 6 | 8 | 2 | 109 | 351.377 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.