In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2011 | 24 | Yes |
Popular Name: [(2S)-4-fluoro-7-(3,4,5-trimethoxyphenyl)-2,3-dihydrobenzofuran-2-yl]methanamine [(2S)-4-fluoro-7-(3,4,5-trimetho…
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) | 2.27 | 5.4 | -53.94 | 3 | 5 | 1 | 65 | 334.367 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.27 | 4.98 | -10.62 | 2 | 5 | 0 | 63 | 333.359 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.