In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 21 | Yes |
Popular Name: 6-fluoro-4-hydroxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide 6-fluoro-4-hydroxy-N-(5-methyl-1…
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) | -0.88 | 5.12 | -21.63 | 2 | 6 | 0 | 88 | 304.306 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.49 | 2.31 | -117.47 | 0 | 6 | -2 | 97 | 302.29 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.81 | 4.57 | -71.8 | 1 | 6 | -1 | 94 | 303.298 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.