In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2008 | 19 | Yes |
Popular Name: 2-[(4-hydroxy-2-pyrimidinyl)thio]-1-(4-methoxyphenyl)ethanone 2-[(4-hydroxy-2-pyrimidinyl)thio…
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) | 2.14 | 4.77 | -13.17 | 1 | 5 | 0 | 72 | 276.317 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.60 | 2.79 | -44.97 | 0 | 5 | -1 | 75 | 275.309 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.14 | 4.2 | -20.24 | 1 | 5 | 0 | 72 | 276.317 | 5 | ↓ |