In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 23rd, 2010 | 24 | Yes |
Popular Name: N-(2-methoxyethyl)-4-oxo-N-(2-thienylmethyl)-1H-quinoline-2-carboxamide N-(2-methoxyethyl)-4-oxo-N-(2-th…
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) | 1.83 | 7.02 | -11.69 | 1 | 5 | 0 | 62 | 342.42 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.13 | 7.88 | -54.57 | 0 | 5 | -1 | 65 | 341.412 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.