In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 20 | Yes |
Popular Name: N2,N2,2-trimethyl-N1-[[2-(2-pyridyl)thiazol-4-yl]methyl]propane-1,2-diamine N2,N2,2-trimethyl-N1-[[2-(2-pyri…
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) | 2.28 | 5.4 | -34.47 | 2 | 4 | 1 | 42 | 291.444 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.28 | 3.39 | -8.8 | 1 | 4 | 0 | 41 | 290.436 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.28 | 4.55 | -38.92 | 2 | 4 | 1 | 46 | 291.444 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.28 | 6.68 | -107.94 | 3 | 4 | 2 | 47 | 292.452 | 6 | ↓ |