In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 2009 | 25 | Yes |
Popular Name: 6-acetamido-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic 6-acetamido-2-(4-ethylpiperazin-…
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) | 1.65 | 6.3 | -69.75 | 2 | 7 | 0 | 90 | 342.399 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.65 | 3.99 | -50.75 | 1 | 7 | -1 | 89 | 341.391 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.65 | 6.56 | -98.45 | 3 | 7 | 1 | 91 | 343.407 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.65 | 4.25 | -43.59 | 2 | 7 | 0 | 90 | 342.399 | 4 | ↓ |