In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 28th, 2008 | 19 | Yes |
Popular Name: 7-(azepan-1-ylmethyl)-3-methyl-thiazolo[2,3-b]pyrimidin-5-one 7-(azepan-1-ylmethyl)-3-methyl-t…
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) | 2.46 | 8.51 | -39.92 | 1 | 4 | 1 | 39 | 278.401 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.46 | 6.54 | -8.84 | 0 | 4 | 0 | 38 | 277.393 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.46 | 6.94 | -31.49 | 1 | 4 | 1 | 39 | 278.401 | 2 | ↓ |