In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 21 | Yes |
Popular Name: 4,6-dimethyl-2-(2-phenylsulfanylethylsulfanyl)pyridine-3-carboxylic 4,6-dimethyl-2-(2-phenylsulfanyl…
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) | 4.04 | 10.86 | -54.03 | 0 | 3 | -1 | 53 | 318.443 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.04 | 11.22 | -45.53 | 1 | 3 | 0 | 54 | 319.451 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.