In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 16 | Yes |
Popular Name: [3-(2,3-dihydrobenzofuran-5-yl)isoxazol-5-yl]methanamine [3-(2,3-dihydrobenzofuran-5-yl)i…
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) | 1.54 | 3.12 | -55.4 | 3 | 4 | 1 | 63 | 217.248 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.54 | 2.72 | -8.48 | 2 | 4 | 0 | 61 | 216.24 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.