In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2010 | 28 | Yes |
Popular Name: 2,2-dimethyl-N-[3-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethoxy]phenyl]propanamide 2,2-dimethyl-N-[3-[2-[(6-methyl-…
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) | 4.64 | 9.72 | -22.64 | 2 | 6 | 0 | 80 | 397.5 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.82 | 7.15 | -52.32 | 1 | 6 | -1 | 87 | 396.492 | 6 | ↓ |