| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 22nd, 2010 | 23 | Yes |
Popular Name: 2-(4-isobutylpiperazine-1-carbonyl)-1H-quinolin-4-one 2-(4-isobutylpiperazine-1-carbon…
| 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) | 1.56 | 6.27 | -12.25 | 1 | 5 | 0 | 56 | 313.401 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.86 | 5.75 | -48.49 | 0 | 5 | -1 | 59 | 312.393 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.86 | 7.54 | -66.95 | 1 | 5 | 0 | 61 | 313.401 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.56 | 8.17 | -53.68 | 2 | 5 | 1 | 58 | 314.409 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
