In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 24 | Yes |
Popular Name: 4-[(4-carboxyphenyl)amino]-2-methylquinoline-6-carboxylic acid 4-[(4-carboxyphenyl)amino]-2-met…
Find On: PubMed — Wikipedia — Google
CAS Number: N/A
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) | 4.40 | 9.38 | -88.28 | 2 | 6 | -1 | 106 | 321.312 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.40 | 8.98 | -96.15 | 1 | 6 | -2 | 105 | 320.304 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.14 | 8.99 | -125.64 | 2 | 6 | -1 | 110 | 321.312 | 3 | ↓ |