In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 19 | Yes |
Popular Name: N1-[[2-(diethylamino)thiazol-5-yl]methyl]-N2,N2,2-trimethyl-propane-1,2-diamine N1-[[2-(diethylamino)thiazol-5-y…
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) | 2.48 | 7.36 | -32.2 | 2 | 4 | 1 | 33 | 285.481 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.48 | 4.86 | -5.16 | 1 | 4 | 0 | 31 | 284.473 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.48 | 8.63 | -111.14 | 3 | 4 | 2 | 37 | 286.489 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.48 | 9.09 | -189.55 | 4 | 4 | 3 | 38 | 287.497 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.48 | 7.81 | -72.68 | 3 | 4 | 2 | 34 | 286.489 | 8 | ↓ |