| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2011 | 20 | Yes |
Popular Name: 2-[(6-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-5-hydroxy-pyran-4-one 2-[(6-amino-3,4-dihydro-2H-quino…
| 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) | 0.84 | 4.76 | -56.32 | 2 | 5 | -1 | 83 | 271.296 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.84 | 3.9 | -16.35 | 3 | 5 | 0 | 80 | 272.304 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.84 | 5.18 | -62.34 | 3 | 5 | 0 | 84 | 272.304 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.84 | 4.32 | -49.36 | 4 | 5 | 1 | 81 | 273.312 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
