In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 8th, 2009 | 16 | Yes |
Popular Name: 2-Quinolinecarboxylic acid, 4,8-dihydroxy-5-methyl- (9CI) 2-Quinolinecarboxylic acid, 4,8-…
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CAS Number: 495408-59-8
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) | 1.66 | 3.57 | -97.15 | 1 | 5 | -2 | 96 | 217.18 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.66 | 2.17 | -44.21 | 2 | 5 | -1 | 93 | 218.188 | 1 | ↓ |