In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 21 | Yes |
Popular Name: 2-[3-(aminomethyl)phenoxy]-N-[(2-fluorophenyl)methyl]-N-methyl-ethanamine 2-[3-(aminomethyl)phenoxy]-N-[(2…
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) | 2.70 | 7.68 | -91.64 | 4 | 3 | 2 | 41 | 290.382 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.70 | 5.31 | -46.08 | 3 | 3 | 1 | 40 | 289.374 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.