In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 17 | Yes |
Popular Name: N-[[2-(diethylamino)thiazol-5-yl]methyl]-N',N'-dimethyl-ethane-1,2-diamine N-[[2-(diethylamino)thiazol-5-yl…
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) | 1.67 | 6.12 | -37.44 | 2 | 4 | 1 | 33 | 257.427 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.67 | 3.64 | -5.25 | 1 | 4 | 0 | 31 | 256.419 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.67 | 6.56 | -73.72 | 3 | 4 | 2 | 34 | 258.435 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.67 | 7.47 | -113.18 | 3 | 4 | 2 | 37 | 258.435 | 8 | ↓ |