In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2008 | 23 | Yes |
Popular Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]pyrido[2,1-b]pyrimidin-4-one 2-[(5-chloro-1,3-benzothiazol-2-…
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) | 4.69 | 9.33 | -14.35 | 0 | 4 | 0 | 47 | 359.863 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.69 | 9.74 | -38.49 | 1 | 4 | 1 | 49 | 360.871 | 3 | ↓ |