In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2006 | 23 | Yes |
Popular Name: 2-hydroxy-1-methyl-4-oxo-N-(3-pyridylmethyl)quinoline-3-carboxamide 2-hydroxy-1-methyl-4-oxo-N-(3-py…
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) | 0.13 | 3.55 | -55.33 | 1 | 6 | -1 | 87 | 308.317 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.13 | 3.14 | -53.23 | 3 | 6 | 1 | 85 | 310.333 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.13 | 3.98 | -65.28 | 2 | 6 | 0 | 88 | 309.325 | 3 | ↓ |