In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2011 | 21 | Yes |
Popular Name: 5,8-dimethyl-2-(3-methyl-2-thienyl)quinoline-4-carboxylic 5,8-dimethyl-2-(3-methyl-2-thien…
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) | 4.60 | 10.44 | -54.43 | 0 | 3 | -1 | 53 | 296.371 | 2 | ↓ |
Lo Low (pH 4.5-6) | 4.60 | 10.19 | -35.95 | 1 | 3 | 0 | 54 | 297.379 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.