| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 20 | Yes |
Popular Name: 4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carboxylic 4-[(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) | 2.17 | 5.72 | -53.54 | 1 | 6 | -1 | 99 | 290.324 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.62 | 3.8 | -114.55 | 0 | 6 | -2 | 102 | 289.316 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.17 | 5.12 | -71.01 | 1 | 6 | -1 | 99 | 290.324 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.62 | 4.21 | -71.84 | 1 | 6 | -1 | 103 | 290.324 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.17 | 6.13 | -42.31 | 2 | 6 | 0 | 100 | 291.332 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
