| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2011 | 18 | Yes |
Popular Name: (3R)-1-[(5-methylisoxazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3R)-1-[(5-methylisoxazol-3-yl)m…
| 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) | 1.24 | 5.01 | -57.27 | 3 | 4 | 1 | 57 | 244.318 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.24 | 4.7 | -8.84 | 2 | 4 | 0 | 55 | 243.31 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
