| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 2nd, 2011 | 25 | Yes |
Popular Name: (2S)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]piperazin-1-yl]butanamide (2S)-2-[4-[2-(3,4-dihydro-2H-qui…
| 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) | 1.95 | 3.05 | -16.33 | 2 | 6 | 0 | 70 | 344.459 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.95 | 4.95 | -43.2 | 3 | 6 | 1 | 71 | 345.467 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
