In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 20 | Yes |
Popular Name: 6-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylic 6-[(4-oxo-6-propyl-1H-pyrimidin-…
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) | 2.27 | 5.69 | -52.09 | 1 | 6 | -1 | 99 | 290.324 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.72 | 5.28 | -109.43 | 0 | 6 | -2 | 102 | 289.316 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.27 | 6.31 | -67.7 | 1 | 6 | -1 | 99 | 290.324 | 5 | ↓ |