In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 19 | Yes |
Popular Name: 2-[(3R)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4,6-dimethyl-pyridine-3-carboxylic 2-[(3R)-2,5-dioxopyrrolidin-3-yl…
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) | 0.71 | 1.52 | -108.57 | 0 | 6 | -2 | 106 | 278.289 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.52 | 4.06 | -55.5 | 1 | 6 | -1 | 99 | 279.297 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.71 | 1.82 | -68.83 | 1 | 6 | -1 | 107 | 279.297 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.