In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 20 | Yes |
Popular Name: N'-[(1R)-1-(2-tert-butyl-4-methyl-thiazol-5-yl)ethyl]-N,N-diethyl-ethane-1,2-diamine N'-[(1R)-1-(2-tert-butyl-4-methy…
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) | 3.67 | 7.59 | -35.94 | 2 | 3 | 1 | 29 | 298.52 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.67 | 5.5 | -3.65 | 1 | 3 | 0 | 28 | 297.512 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.67 | 8.79 | -116.68 | 3 | 3 | 2 | 34 | 299.528 | 8 | ↓ |