| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2011 | 20 | Yes |
Popular Name: [(3S)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(5-hydroxy-3-pyridyl)methanone [(3S)-3-amino-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) | 0.62 | 1.31 | -61.92 | 4 | 5 | 1 | 81 | 270.312 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.62 | 0.98 | -9.34 | 3 | 5 | 0 | 79 | 269.304 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.62 | 1.74 | -45.49 | 2 | 5 | -1 | 82 | 268.296 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.62 | 2.3 | -22.8 | 3 | 5 | 0 | 84 | 269.304 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.62 | 2.62 | -67.24 | 4 | 5 | 1 | 85 | 270.312 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
