In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2010 | 18 | Yes |
Popular Name: (1R)-N-ethyl-1-(2-fluorophenyl)-2-(2-pyridyl)ethanamine (1R)-N-ethyl-1-(2-fluorophenyl)-…
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) | 2.81 | 8.52 | -29.94 | 2 | 2 | 1 | 29 | 245.321 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.81 | 7.48 | -5.06 | 1 | 2 | 0 | 25 | 244.313 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.81 | 8.21 | -99.43 | 3 | 2 | 2 | 31 | 246.329 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.