In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2010 | 20 | Yes |
Popular Name: 1-[ethyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]-3-(4-fluorophenyl)propan-2-one 1-[ethyl-[[(2R)-tetrahydrofuran-…
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) | 2.23 | 8.88 | -43.2 | 1 | 3 | 1 | 31 | 280.363 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.23 | 7.03 | -11.37 | 0 | 3 | 0 | 30 | 279.355 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.