In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 11th, 2011 | 28 | Yes |
Popular Name: 5-[(5-ethyl-2-pyridyl)methyl]-3-(1-naphthyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridine 5-[(5-ethyl-2-pyridyl)methyl]-3-…
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) | 4.41 | 10.74 | -13.03 | 0 | 4 | 0 | 42 | 369.468 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.41 | 12.99 | -48.67 | 1 | 4 | 1 | 43 | 370.476 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.41 | 11.16 | -41.04 | 1 | 4 | 1 | 43 | 370.476 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.