In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 22 | Yes |
Popular Name: 2-[2-[(diallylamino)methyl]phenyl]thiazole-4-carboxylic 2-[2-[(diallylamino)methyl]pheny…
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) | 3.64 | 8.69 | -72.11 | 1 | 4 | 0 | 57 | 314.41 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.64 | 7.28 | -61.23 | 0 | 4 | -1 | 56 | 313.402 | 8 | ↓ |