In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2010 | 19 | Yes |
Popular Name: 1-(4-fluorophenyl)-3-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]propan-2-one 1-(4-fluorophenyl)-3-[methyl-[[(…
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) | 1.85 | 8.46 | -45.17 | 1 | 3 | 1 | 31 | 266.336 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.85 | 6.12 | -11.21 | 0 | 3 | 0 | 30 | 265.328 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.