| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2011 | 21 | Yes |
Popular Name: 1-[[5-(3-aminoprop-1-ynyl)-2-thienyl]methyl]quinolin-2-one 1-[[5-(3-aminoprop-1-ynyl)-2-thi…
| 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) | 2.41 | 7.6 | -11.56 | 2 | 3 | 0 | 48 | 294.379 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.41 | 8 | -56.14 | 3 | 3 | 1 | 50 | 295.387 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
